CAS RN: 108212-65-3
CAS Name: (5E,8E,11E,14E)-7,7-difluoroeicosa-5,8,11,14-tetraenoic acid
OPENEYE Name: (5E,8E,11E,14E)-7,7-difluoroicosa-5,8,11,14-tetraenoic acid
IUPAC Name: (5E,8E,11E,14E)-7,7-difluoroicosa-5,8,11,14-tetraenoic acid
SYSTEMATIC NAME: (5E,8E,11E,14E)-7,7-bis(fluoranyl)icosa-5,8,11,14-tetraenoic acid
MOLECULAR FORMULA: C20H30F2O2
MOLECULAR WEIGHT: 340.447806
SMILES: CCCCC/C=C/C/C=C/C/C=C/C(/C=C/CCCC(=O)O)(F)F
Structure:
CAS RN: 108212-58-4
CAS Name: (5E,8E,11E,14E)-10,10-difluoroeicosa-5,8,11,14-tetraenoic acid
OPENEYE Name: (5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid
IUPAC Name: (5E,8E,11E,14E)-10,10-difluoroicosa-5,8,11,14-tetraenoic acid
SYSTEMATIC NAME: (5E,8E,11E,14E)-10,10-bis(fluoranyl)icosa-5,8,11,14-tetraenoic acid
MOLECULAR FORMULA: C20H30F2O2
MOLECULAR WEIGHT: 340.447806
SMILES: CCCCC/C=C/C/C=C/C(/C=C/C/C=C/CCCC(=O)O)(F)F
Structure:
CAS RN: 107701-63-3
CAS Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2-acetamido-2-carboxyethyl)thio]-5,20-dihydroxyeicosa-7,9,11,14-tetraenoic acid
OPENEYE Name: (5S,6R,7E,9E,11Z,14Z)-6-(2-acetamido-2-carboxy-ethyl)sulfanyl-5,20-dihydroxy-icosa-7,9,11,14-tetraenoic acid
IUPAC Name: (5S,6R,7E,9E,11Z,14Z)-6-(2-acetamido-2-carboxyethyl)sulfanyl-5,20-dihydroxyicosa-7,9,11,14-tetraenoic acid
SYSTEMATIC NAME: (5S,6R,7E,9E,11Z,14Z)-6-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-5,20-bis(oxidanyl)icosa-7,9,11,14-tetraenoic acid
MOLECULAR FORMULA: C25H39NO7S
MOLECULAR WEIGHT: 497.64466
SMILES: CC(=O)NC(CS[C@H](/C=C/C=C/C=C\C/C=C\CCCCCO)[C@H](CCCC(=O)O)O)C(=O)O
Structure:
CAS RN: 104947-69-5
CAS Name: tetradecanoic acid [(3S,6S)-1-methyl-7-oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methyl-1-oxonon-6-enyl]amino]-3-azepanyl] ester
OPENEYE Name: [(3S,6S)-1-methyl-7-oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methyl-non-6-enoyl]amino]azepan-3-yl] tetradecanoate
IUPAC Name: [(3S,6S)-1-methyl-7-oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino]azepan-3-yl] tetradecanoate
SYSTEMATIC NAME: [(3S,6S)-6-[[(E,2R,3R,4S,5R)-2-methoxy-8-methyl-3,4,5-tris(oxidanyl)non-6-enoyl]amino]-1-methyl-7-oxidanylidene-azepan-3-yl] tetradecanoate
MOLECULAR FORMULA: C32H58N2O8
MOLECULAR WEIGHT: 598.81152
SMILES: CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@H](C(=O)N(C1)C)NC(=O)[C@@H]([C@@H]([C@H]([C@@H](/C=C/C(C)C)O)O)O)OC
Structure:
CAS RN: 103654-47-3
CAS Name: (3Z,5S,12R)-5-hydroxy-12-methyl-1-oxacyclododec-3-en-2-one
OPENEYE Name: (3Z,5S,12R)-5-hydroxy-12-methyl-1-oxacyclododec-3-en-2-one
IUPAC Name: (3Z,5S,12R)-5-hydroxy-12-methyl-1-oxacyclododec-3-en-2-one
SYSTEMATIC NAME: (3Z,5S,12R)-12-methyl-5-oxidanyl-1-oxacyclododec-3-en-2-one
MOLECULAR FORMULA: C12H20O3
MOLECULAR WEIGHT: 212.2854
SMILES: C[C@@H]1CCCCCC[C@@H](/C=C\C(=O)O1)O
Structure:
CAS RN: 91254-90-9
CAS Name: [(E,2S,3R)-3-hydroxy-2-(1-oxohexadecylamino)octadec-4-enoxy]-[2-(methylamino)ethyl]phosphinic acid
OPENEYE Name: [(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxy-octadec-4-enoxy]-[2-(methylamino)ethyl]phosphinic acid
IUPAC Name: [(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-[2-(methylamino)ethyl]phosphinic acid
SYSTEMATIC NAME: [(E,2S,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enoxy]-[2-(methylamino)ethyl]phosphinic acid
MOLECULAR FORMULA: C37H75N2O5P
MOLECULAR WEIGHT: 658.975561
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(CCNC)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
Structure:
CAS RN: 90817-53-1
CAS Name: 5,6-dihydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
OPENEYE Name: 5,6-dihydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid
IUPAC Name: 5,6-dihydroxy-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
SYSTEMATIC NAME: 5,6-bis(oxidanyl)-7-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]heptanoic acid
MOLECULAR FORMULA: C20H34O7
MOLECULAR WEIGHT: 386.47976
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CC(C(CCCC(=O)O)O)O)O)O
Structure:
CAS RN: 86829-00-7
CAS Name: 3-[(2E,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-[3-(2-carboxyethyl)-4-(carboxymethyl)-5-oxo-2-pyrrolylidene]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methylidene]-5-[[4-(2-carboxyethyl)-3-(carboxymethyl)-5-oxo-2-pyrrolyl]methylidene]-4-(carboxymethyl)-3-pyrrolyl]
OPENEYE Name: 3-[(2E,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-[3-(2-carboxyethyl)-4-(carboxymethyl)-5-oxo-pyrrol-2-ylidene]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methylene]-5-[[4-(2-carboxyethyl)-3-(carboxymethyl)-5-oxo-pyrrol-2-yl]methylene]-4-(carboxymethyl)pyrrol-3-yl]pr
IUPAC Name: 3-[(2E,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-[3-(2-carboxyethyl)-4-(carboxymethyl)-5-oxopyrrol-2-ylidene]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methylidene]-5-[[4-(2-carboxyethyl)-3-(carboxymethyl)-5-oxopyrrol-2-yl]methylidene]-4-(carboxymethyl)pyrrol-3-yl]
SYSTEMATIC NAME: 3-[(2E,5E)-4-(2-hydroxy-2-oxoethyl)-2-[[4-(2-hydroxy-2-oxoethyl)-5-[(Z)-[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-oxidanylidene-pyrrol-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-1H-pyrrol-2-yl]methylidene]-5-[[3-(2-hydroxy-2-oxoethyl)-4-(3-hy
MOLECULAR FORMULA: C39H38N4O18
MOLECULAR WEIGHT: 850.73502
SMILES: C(CC(=O)O)C\1=C(/C(=C\C2=NC(=O)C(=C2CC(=O)O)CCC(=O)O)/N/C1=C/C3=C(C(=C(N3)/C=C\4/C(=C(C(=O)N4)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O
Structure:
CAS RN: 85354-07-0
CAS Name: (3Z,5Z,7Z)-6-methyl-8-(2,6,6-trimethyl-1-cyclohexenyl)-2-octa-3,5,7-trienone
OPENEYE Name: (3Z,5Z,7Z)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-one
IUPAC Name: (3Z,5Z,7Z)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-one
SYSTEMATIC NAME: (3Z,5Z,7Z)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-one
MOLECULAR FORMULA: C18H26O
MOLECULAR WEIGHT: 258.39844
SMILES: CC1=C(C(CCC1)(C)C)/C=C\C(=C/C=C\C(=O)C)\C
Structure:
CAS RN: 85230-66-6
CAS Name: (2Z,3R,4S,5R,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2Z,3R,4S,5R,6R)-2-ethylidene-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2Z,3R,4S,5R,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2Z,3R,4S,5R,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C8H14O5
MOLECULAR WEIGHT: 190.19376
SMILES: C/C=C\1/[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Structure:
CAS RN: 81026-38-2
CAS Name: (3aS,6Z,10E,14Z)-6,14-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
OPENEYE Name: (3aS,6Z,10E,14Z)-6,14-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
IUPAC Name: (3aS,6Z,10E,14Z)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
SYSTEMATIC NAME: (3aS,6Z,10E,14Z)-6,14-dimethyl-3-methylidene-2-oxidanylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
MOLECULAR FORMULA: C20H26O4
MOLECULAR WEIGHT: 330.41804
SMILES: C/C/1=C/CC/C(=C\CC/C(=C\C2[C@@H](CC1)C(=C)C(=O)O2)/C)/C(=O)O
Structure:
CAS RN: 80445-76-7
CAS Name: (E)-4-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyl-4-oxanyl]amino]-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-[[6-[[3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C31H31NO13
MOLECULAR WEIGHT: 625.57674
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)NC(=O)/C=C/C(=O)O)O
Structure:
CAS RN: 79574-11-1
CAS Name: (2Z)-2-[(2Z,4E)-3,5-bis(3-butyl-4-methyl-2-thiazol-3-iumyl)penta-2,4-dienylidene]-3-butyl-4-methylthiazole diiodide
OPENEYE Name: (2Z)-2-[(2Z,4E)-3,5-bis(3-butyl-4-methyl-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-butyl-4-methyl-thiazole diiodide
IUPAC Name: (2Z)-2-[(2Z,4E)-3,5-bis(3-butyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-butyl-4-methyl-1,3-thiazole diiodide
SYSTEMATIC NAME: (2Z)-2-[(2Z,4E)-3,5-bis(3-butyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-butyl-4-methyl-1,3-thiazole diiodide
MOLECULAR FORMULA: C29H43I2N3S3
MOLECULAR WEIGHT: 783.67576
SMILES: CCCCN\1C(=CS/C1=C\C=C(\C=C\C2=[N+](C(=CS2)C)CCCC)/C3=[N+](C(=CS3)C)CCCC)C.[I-].[I-]
Structure:
CAS RN: 79315-17-6
CAS Name: (2E,4Z)-deca-2,4-dienethioic acid S-[2-[[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester
OPENEYE Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2E,4Z)-deca-2,4-dienethioate
IUPAC Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2E,4Z)-deca-2,4-dienethioate
SYSTEMATIC NAME: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2E,4Z)-deca-2,4-dienethioate
MOLECULAR FORMULA: C31H50N7O17P3S
MOLECULAR WEIGHT: 917.751683
SMILES: CCCCC/C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
Structure:
CAS RN: 78144-19-1
CAS Name: 5-[(3E,6E,9E,12E,15E)-1-iodooctadeca-3,6,9,12,15-pentaenyl]-2-oxolanone
OPENEYE Name: 5-[(3E,6E,9E,12E,15E)-1-iodooctadeca-3,6,9,12,15-pentaenyl]tetrahydrofuran-2-one
IUPAC Name: 5-[(3E,6E,9E,12E,15E)-1-iodooctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one
SYSTEMATIC NAME: 5-[(3E,6E,9E,12E,15E)-1-iodanyloctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one
MOLECULAR FORMULA: C22H31IO2
MOLECULAR WEIGHT: 454.38481
SMILES: CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC(C1CCC(=O)O1)I
Structure:
CAS RN: 77165-75-4
CAS Name: (2S)-2-acetamido-5-[acetyl(hydroxy)amino]pentanoic acid [(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methyl-1-oxopent-2-enyl]amino]propyl]-3,6-dioxo-2-piperazinyl]propyl]amino]-3-methyl-5-oxopent-3-enyl] ester
OPENEYE Name: [(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methyl-pent-2-enoyl]amino]propyl]-3,6-dioxo-piperazin-2-yl]propyl]amino]-3-methyl-5-oxo-pent-3-enyl] (2S)-2-acetamido-5-[acetyl(hydroxy)amino]pentanoate
IUPAC Name: [(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] (2S)-2-acetamido-5-[acetyl(hydroxy)amino]pentanoate
SYSTEMATIC NAME: [(E)-3-methyl-5-[3-[(2S,5S)-5-[3-[[(E)-3-methyl-5-oxidanyl-pent-2-enoyl]-oxidanyl-amino]propyl]-3,6-bis(oxidanylidene)piperazin-2-yl]propyl-oxidanyl-amino]-5-oxidanylidene-pent-3-enyl] (2S)-2-acetamido-5-[ethanoyl(oxidanyl)amino]pentanoate
MOLECULAR FORMULA: C31H50N6O12
MOLECULAR WEIGHT: 698.7617
SMILES: C/C(=C\C(=O)N(CCC[C@H]1C(=O)N[C@H](C(=O)N1)CCCN(C(=O)/C=C(\C)/CCOC(=O)[C@H](CCCN(C(=O)C)O)NC(=O)C)O)O)/CCO
Structure:
CAS RN: 77165-74-3
CAS Name: (5S,7E,9E,11Z)-6-[[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]thio]-5-hydroxyeicosa-7,9,11-trienoic acid
OPENEYE Name: (5S,7E,9E,11Z)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxo-propyl]sulfanyl-5-hydroxy-icosa-7,9,11-trienoic acid
IUPAC Name: (5S,7E,9E,11Z)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11-trienoic acid
SYSTEMATIC NAME: (5S,7E,9E,11Z)-6-[(2R)-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11-trienoic acid
MOLECULAR FORMULA: C25H42N2O6S
MOLECULAR WEIGHT: 498.67578
SMILES: CCCCCCCC/C=C\C=C\C=C\C([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N
Structure:
CAS RN: 65717-73-9
CAS Name: (2S)-2-[[(2S)-2-acetamido-4-[[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-[hydroxy-[hydroxy-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-und
OPENEYE Name: (2S)-2-[[(2S)-2-acetamido-4-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-1-[hydroxy-[hydroxy-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,
IUPAC Name: (2S)-2-[[(2S)-2-acetamido-4-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-1-[hydroxy-[hydroxy-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undec
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-acetamido-4-[(2R,3S,4R,5R,6S)-5-azanyl-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxy-2-methyl-3-oxidanylidene-1-[oxidanyl-[oxidanyl-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,
MOLECULAR FORMULA: C98H154N8O23P2S
MOLECULAR WEIGHT: 1906.323682
SMILES: C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CCCCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)NC(=O)CC[C@@H](C(=O)O)N=C([C@@](C)(C(=O)C(C)O[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O)CO)O)N)NC(=O)C)OP(=O)(O)OP(=O)(O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\
Structure:
CAS RN: 65380-05-4
CAS Name: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-3-hydroperoxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-3-hydroperoxyoct-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-3-hydroperoxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-3-(dioxidanyl)oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C20H32O6
MOLECULAR WEIGHT: 368.46448
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)OO
Structure:
CAS RN: 65290-33-7
CAS Name: (Z)-2-butenedioic acid; 2-methyl-2-propenoic acid; styrene
OPENEYE Name: maleic acid; 2-methylprop-2-enoic acid; styrene
IUPAC Name: (Z)-but-2-enedioic acid; 2-methylprop-2-enoic acid; styrene
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; ethenylbenzene; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C16H18O6
MOLECULAR WEIGHT: 306.31052
SMILES: CC(=C)C(=O)O.C=CC1=CC=CC=C1.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 64833-92-7
CAS Name: (Z)-1-(1-imidazolyl)-9-octadecen-1-one
OPENEYE Name: (Z)-1-imidazol-1-yloctadec-9-en-1-one
IUPAC Name: (Z)-1-imidazol-1-yloctadec-9-en-1-one
SYSTEMATIC NAME: (Z)-1-imidazol-1-yloctadec-9-en-1-one
MOLECULAR FORMULA: C21H36N2O
MOLECULAR WEIGHT: 332.52334
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)N1C=CN=C1
Structure:
CAS RN: 61756-21-6
CAS Name: (E)-4-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxo-2-butenoic acid [[(2S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] ester
OPENEYE Name: [[(2S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (E)-4-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]amino]-4-oxo-but-2-enoate
IUPAC Name: [[(2S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (E)-4-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobut-2-enoate
SYSTEMATIC NAME: [[(2S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (E)-4-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-but-2-enoate
MOLECULAR FORMULA: C24H27N6O12P
MOLECULAR WEIGHT: 622.477941
SMILES: COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)/C=C/C(=O)OP(=O)(O)OC[C@@H]2C[C@H]([C@@H](O2)N3C=NC4=C3NC(=NC4=O)N)O
Structure:
CAS RN: 58720-65-3
CAS Name: 6-hydroxy-3-[(1E,3E,5E,7E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]-2,4,4-trimethyl-1-cyclohex-2-enone
OPENEYE Name: 6-hydroxy-3-[(1E,3E,5E,7E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
IUPAC Name: 6-hydroxy-3-[(1E,3E,5E,7E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]-2,4,4-trimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 2,4,4-trimethyl-6-oxidanyl-3-[(1E,3E,5E,7E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanyl-3-oxidanylidene-cyclohexen-1-yl)octadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]cyclohex-2-en-1-one
MOLECULAR FORMULA: C40H50O4
MOLECULAR WEIGHT: 594.8226
SMILES: CC1=C(C(CC(C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C#C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)C(CC2(C)C)O)C)\C)\C)/C)/C
Structure:
CAS RN: 105304-51-6
CAS Name: 3,4,5-trihydroxybenzoic acid [(2S,3R,4R,5S,6R)-5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxy-3-oxanyl] ester
OPENEYE Name: [(2S,3R,4R,5S,6R)-5-[(E)-2-(3,5-dihydroxyphenyl)vinyl]-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxy-tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate
IUPAC Name: [(2S,3R,4R,5S,6R)-5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl] 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: [(2S,3R,4R,5S,6R)-5-[(E)-2-[3,5-bis(oxidanyl)phenyl]ethenyl]-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-phenoxy-oxan-3-yl] 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C27H26O12
MOLECULAR WEIGHT: 542.48814
SMILES: C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@]([C@H](O2)CO)(/C=C/C3=CC(=CC(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
Structure:
CAS RN: 104169-53-1
CAS Name: (5E)-8-ethyl-7,13-dihydroxy-1-methoxy-3,5,7,11-tetramethyl-9,15-dioxabicyclo[11.2.1]hexadec-5-ene-10,12-dione
OPENEYE Name: (5E)-8-ethyl-7,13-dihydroxy-1-methoxy-3,5,7,11-tetramethyl-9,15-dioxabicyclo[11.2.1]hexadec-5-ene-10,12-dione
IUPAC Name: (5E)-8-ethyl-7,13-dihydroxy-1-methoxy-3,5,7,11-tetramethyl-9,15-dioxabicyclo[11.2.1]hexadec-5-ene-10,12-dione
SYSTEMATIC NAME: (5E)-8-ethyl-1-methoxy-3,5,7,11-tetramethyl-7,13-bis(oxidanyl)-9,15-dioxabicyclo[11.2.1]hexadec-5-ene-10,12-dione
MOLECULAR FORMULA: C21H34O7
MOLECULAR WEIGHT: 398.49046
SMILES: CCC1C(/C=C(/CC(CC2(CC(CO2)(C(=O)C(C(=O)O1)C)O)OC)C)\C)(C)O
Structure:
CAS RN: 104169-51-9
CAS Name: (3R,5E,11E,14S)-14-ethyl-4,10-dihydroxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradeca-5,11-diene-2,7-dione
OPENEYE Name: (3R,5E,11E,14S)-14-ethyl-4,10-dihydroxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradeca-5,11-diene-2,7-dione
IUPAC Name: (3R,5E,11E,14S)-14-ethyl-4,10-dihydroxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradeca-5,11-diene-2,7-dione
SYSTEMATIC NAME: (3R,5E,11E,14S)-14-ethyl-3,5,9,11,13-pentamethyl-4,10-bis(oxidanyl)-1-oxacyclotetradeca-5,11-diene-2,7-dione
MOLECULAR FORMULA: C20H32O5
MOLECULAR WEIGHT: 352.46508
SMILES: CC[C@H]1C(/C=C(/C(C(CC(=O)/C=C(/C([C@H](C(=O)O1)C)O)\C)C)O)\C)C
Structure:
CAS RN: 104169-50-8
CAS Name: (3R,7E,11E,14S)-14-ethyl-4,10-dihydroxy-3,7,9,11,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,5-dione
OPENEYE Name: (3R,7E,11E,14S)-14-ethyl-4,10-dihydroxy-3,7,9,11,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,5-dione
IUPAC Name: (3R,7E,11E,14S)-14-ethyl-4,10-dihydroxy-3,7,9,11,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,5-dione
SYSTEMATIC NAME: (3R,7E,11E,14S)-14-ethyl-3,7,9,11,13-pentamethyl-4,10-bis(oxidanyl)-1-oxacyclotetradeca-7,11-diene-2,5-dione
MOLECULAR FORMULA: C20H32O5
MOLECULAR WEIGHT: 352.46508
SMILES: CC[C@H]1C(/C=C(/C(C(/C=C(/CC(=O)C([C@H](C(=O)O1)C)O)\C)C)O)\C)C
Structure:
CAS RN: 103729-43-7
CAS Name: (3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione
OPENEYE Name: (3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione
IUPAC Name: (3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione
SYSTEMATIC NAME: (3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione
MOLECULAR FORMULA: C12H18O3
MOLECULAR WEIGHT: 210.26952
SMILES: C[C@@H]1CCCCCCC(=O)/C=C\C(=O)O1
Structure:
CAS RN: 99664-83-2
CAS Name: propanoic acid [(4R,5S,6S,7S,9R,10S,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-[[(2R,5S,6R)-5-(dimethylamino)-6-methyl-4-(2-oxoethyl)-2-oxanyl]oxy]-5-m
OPENEYE Name: [(4R,5S,6S,7S,9R,10S,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-4-(2-oxoethyl)tetrahydropyra
IUPAC Name: [(4R,5S,6S,7S,9R,10S,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-4-(2-oxoethyl)oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-
SYSTEMATIC NAME: [(4R,5S,6S,7S,9R,10S,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-4-(2-oxidanylideneethyl)oxan-2-yl]oxy-5-methox
MOLECULAR FORMULA: C50H82N2O17
MOLECULAR WEIGHT: 983.18928
SMILES: CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C([C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)CC=O)C)O[C@H]4CC([C@@H]([C@H](O4)C)N(C)C)CC=O)C
Structure:
CAS RN: 97858-30-5
CAS Name: 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-3,5-dimethylnaphthalene-1,4-dione
OPENEYE Name: 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-3,5-dimethyl-naphthalene-1,4-dione
IUPAC Name: 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-3,5-dimethylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-3,5-dimethyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C47H66O2
MOLECULAR WEIGHT: 663.02574
SMILES: CC1=CC=CC2=C1C(=O)C(=C(C2=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C
Structure:
CAS RN: 97402-97-6
CAS Name: (2S,3Z)-2-amino-3-ethylidenebutanedioic acid
OPENEYE Name: (2S,3Z)-2-amino-3-ethylidene-butanedioic acid
IUPAC Name: (2S,3Z)-2-amino-3-ethylidenebutanedioic acid
SYSTEMATIC NAME: (2S,3Z)-2-azanyl-3-ethylidene-butanedioic acid
MOLECULAR FORMULA: C6H9NO4
MOLECULAR WEIGHT: 159.13996
SMILES: C/C=C(/[C@@H](C(=O)O)N)\C(=O)O
Structure:
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