Primary Record
Sinapoyl-CoA
- In stock
- 8,297 g
- Purity
- 99.7 %
- CAS
- 54429-80-0
Compound Identifiers & Properties
- CAS
- 54429-80-0
- PubChem CID
- 11966120
- 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)/C=C/C4=CC(=C(C(=C4)OC)O)OC)O
- Canonical SMILES
- COc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)cc(OC)c1O
Names & Synonyms
- Sinapoyl-CoA
- Sinapoyl-coenzyme A
- RefChem:183148
- CHEBI:15540
- SCHEMBL29412296
- DTXSID50474893
- LMFA07050368
- CID11966120
- 54429-80-0
- [(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acroyl]-CoA
- Sinapoyl-coenzyme A; (Acyl-CoA); [M+H]+;
- C00411
- Q27098089
- 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
- Coenzyme A, S-[3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate]
- 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] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enethioate
- S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enethioate