CAS RN: 187099-99-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C74H117N4O14PS2
MOLECULAR WEIGHT: 1381.842941
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNS(=O)(=O)C1=CC(=C(C=C1)C2=C3C=C4CCC[N+]5=C4C(=C3OC6=C7CCCN8C7=C(CCC8)C=C26)CCC5)S(=O)(=O)[O-])OC(=O)CCCCCCCCCCCCCCC.CCN(CC)CC
Structure:
CAS RN: 50-91-9
CAS Name: 5-fluoro-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-fluoro-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-fluoro-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11FN2O5
MOLECULAR WEIGHT: 246.192443
SMILES: C1[C@@H]([C@H](OC1N2C=C(C(=O)NC2=O)F)CO)O
Structure:
CAS RN: 291527-75-8
CAS Name: hexadecanoic acid [(2R)-3-[hydroxy-[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester
OPENEYE Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexoxy]phosphoryl]oxy-propyl] hexadecanoate
IUPAC Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
SYSTEMATIC NAME: [(2R)-2-hexadecanoyloxy-3-[oxidanyl-[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrakis(oxidanyl)-5-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate
MOLECULAR FORMULA: C41H80O16P2
MOLECULAR WEIGHT: 891.011822
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 57606-15-2
CAS Name: hexadecanoic acid [(2R)-3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl]oxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester
OPENEYE Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxy-cyclohexoxy]phosphoryl]oxy-propyl] hexadecanoate
IUPAC Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
SYSTEMATIC NAME: [(2R)-2-hexadecanoyloxy-3-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate
MOLECULAR FORMULA: C41H80O16P2
MOLECULAR WEIGHT: 891.011822
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 165689-81-6
CAS Name: hexadecanoic acid [(2R)-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester
OPENEYE Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexoxy]phosphoryl]oxy-propyl] hexadecanoate
IUPAC Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
SYSTEMATIC NAME: [(2R)-2-hexadecanoyloxy-3-[oxidanyl-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrakis(oxidanyl)-5-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate
MOLECULAR FORMULA: C41H80O16P2
MOLECULAR WEIGHT: 891.011822
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 165689-82-7
CAS Name: hexadecanoic acid [(2R)-3-[[(2S,3R,5S,6S)-2,6-dihydroxy-3,4,5-triphosphonooxycyclohexyl]oxy-hydroxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester
OPENEYE Name: [(2R)-3-[[(2S,3R,5S,6S)-2,6-dihydroxy-3,4,5-triphosphonooxy-cyclohexoxy]-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate
IUPAC Name: [(2R)-3-[[(2S,3R,5S,6S)-2,6-dihydroxy-3,4,5-triphosphonooxycyclohexyl]oxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
SYSTEMATIC NAME: [(2R)-3-[[(2S,3R,5S,6S)-2,6-bis(oxidanyl)-3,4,5-triphosphonooxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate
MOLECULAR FORMULA: C41H82O22P4
MOLECULAR WEIGHT: 1050.971624
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 120595-88-2
CAS Name: hexadecanoic acid [(2R)-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester
OPENEYE Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexoxy]phosphoryl]oxy-propyl] hexadecanoate
IUPAC Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
SYSTEMATIC NAME: [(2R)-2-hexadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate
MOLECULAR FORMULA: C41H81O19P3
MOLECULAR WEIGHT: 970.991723
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 214282-36-7
CAS Name: hexadecanoic acid [(2R)-3-[hydroxy-[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester
OPENEYE Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-diphosphonooxy-cyclohexoxy]phosphoryl]oxy-propyl] hexadecanoate
IUPAC Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
SYSTEMATIC NAME: [(2R)-2-hexadecanoyloxy-3-[oxidanyl-[(2R,3R,5S,6R)-2,4,6-tris(oxidanyl)-3,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate
MOLECULAR FORMULA: C41H81O19P3
MOLECULAR WEIGHT: 970.991723
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 165883-85-2
CAS Name: hexadecanoic acid [(2R)-3-[hydroxy-[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester
OPENEYE Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexoxy]phosphoryl]oxy-propyl] hexadecanoate
IUPAC Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
SYSTEMATIC NAME: [(2R)-2-hexadecanoyloxy-3-[oxidanyl-[(1S,2R,3R,4S,5S,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate
MOLECULAR FORMULA: C41H81O19P3
MOLECULAR WEIGHT: 970.991723
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 1008-07-7
CAS Name: 7-chloro-1H-indole-3-carboxaldehyde
OPENEYE Name: 7-chloro-1H-indole-3-carbaldehyde
IUPAC Name: 7-chloro-1H-indole-3-carbaldehyde
SYSTEMATIC NAME: 7-chloranyl-1H-indole-3-carbaldehyde
MOLECULAR FORMULA: C9H6ClNO
MOLECULAR WEIGHT: 179.60304
SMILES: C1=CC2=C(C(=C1)Cl)NC=C2C=O
Structure:
CAS RN: 53398-76-8
CAS Name: (2E,4Z)-hexa-2,4-dienal
OPENEYE Name: (2E,4Z)-hexa-2,4-dienal
IUPAC Name: (2E,4Z)-hexa-2,4-dienal
SYSTEMATIC NAME: (2E,4Z)-hexa-2,4-dienal
MOLECULAR FORMULA: C6H8O
MOLECULAR WEIGHT: 96.12712
SMILES: C/C=C\C=C\C=O
Structure:
CAS RN: 6789-80-6
CAS Name: (Z)-3-hexenal
OPENEYE Name: (Z)-hex-3-enal
IUPAC Name: (Z)-hex-3-enal
SYSTEMATIC NAME: (Z)-hex-3-enal
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: CC/C=C\CC=O
Structure:
CAS RN: 922-62-3
CAS Name: (Z)-3-methyl-2-pentene
OPENEYE Name: (Z)-3-methylpent-2-ene
IUPAC Name: (Z)-3-methylpent-2-ene
SYSTEMATIC NAME: (Z)-3-methylpent-2-ene
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CC/C(=C\C)/C
Structure:
CAS RN: 14205-39-1
CAS Name: (Z)-3-amino-2-butenoic acid methyl ester
OPENEYE Name: methyl (Z)-3-aminobut-2-enoate
IUPAC Name: methyl (Z)-3-aminobut-2-enoate
SYSTEMATIC NAME: methyl (Z)-3-azanylbut-2-enoate
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: C/C(=C/C(=O)OC)/N
Structure:
CAS RN: 565-63-9
CAS Name: (Z)-2-methyl-2-butenoic acid
OPENEYE Name: (Z)-2-methylbut-2-enoic acid
IUPAC Name: (Z)-2-methylbut-2-enoic acid
SYSTEMATIC NAME: (Z)-2-methylbut-2-enoic acid
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: C/C=C(/C)\C(=O)O
Structure:
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