Chemical Compound
Phenylpropionyl-coa
CAS Registry Number
117411-09-3
Primary Record
Phenylpropionyl-coa
- In stock
- 737 g
- Purity
- 98.8 %
- CAS
- 117411-09-3
Compound Identifiers & Properties
- CAS
- 117411-09-3
- PubChem CID
- 3081660
- SMILES
- CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC4=CC=CC=C4)O
- Canonical SMILES
- CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCc1ccccc1
Names & Synonyms
- Phenylpropionyl-coa
- 3-phenylpropanoyl-CoA
- Phenylpropionyl-coenzyme A
- dihydrocinnamoyl-CoA
- Coenzyme A, phenylpropionyl-
- 3-phenylpropionyl-CoA
- 3-Phenylpropionyl CoA
- AC1MIXBF
- RefChem:918906
- Coenzyme A, S-benzenepropanoate
- dihydrocinnamoyl-coenzyme A
- 3-phenylpropionyl-coenzyme A
- Coenzyme A,S-benzenepropanoate
- SCHEMBL1490244
- SCHEMBL29782995
- CHEBI:85675
- CTK4B0271
- S-(3-Phenylpropionyl)coenzyme A
- C30H44N7O17P3S
- DTXSID50922420
- 117411-09-3
- CID3081660
- C30-H44-N7-O17-P3-S
- PD212776
- J1.050.826F
- Phenylpropionyl-CoA; (Acyl-CoA); [M+H]+;
- 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] 3-phenylpropanethioate
- Q27158699
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-phenylpropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-phenylpropanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl]dihydrogen diphosphate}
- 5'-O-[({[(3R)-3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(3-phenylpropanoyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
- 9-{5-O-[{[(3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(3-phenylpropanoyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-(3-phenylpropionylthio)ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester