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CHEBI:28882 - (S)-2-benzoylsuccinyl-CoA
| Formula | C32H44N7O20P3S |
| Net Charge | 0 |
| Average Mass | 971.722 |
| Monoisotopic Mass | 971.15747 |
| 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)[C@@H](CC(=O)O)C(=O)c1ccccc1 |
| InChI | InChI=1S/C32H44N7O20P3S/c1-32(2,26(45)29(46)35-9-8-20(40)34-10-11-63-31(47)18(12-21(41)42)23(43)17-6-4-3-5-7-17)14-56-62(53,54)59-61(51,52)55-13-19-25(58-60(48,49)50)24(44)30(57-19)39-16-38-22-27(33)36-15-37-28(22)39/h3-7,15-16,18-19,24-26,30,44-45H,8-14H2,1-2H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t18-,19+,24+,25+,26-,30+/m0/s1 |
| InChIKey | SGNPJINSCKFITG-BBJTXHABSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-2-benzoylsuccinyl-CoA (CHEBI:28882) is a acyl-CoA (CHEBI:17984) |
| (S)-2-benzoylsuccinyl-CoA (CHEBI:28882) is conjugate acid of (S)-2-benzoylsuccinyl-CoA(5−) (CHEBI:189060) |
| Incoming Relation(s) |
| (S)-2-benzoylsuccinyl-CoA(5−) (CHEBI:189060) is conjugate base of (S)-2-benzoylsuccinyl-CoA (CHEBI:28882) |
| IUPAC Name |
|---|
| (9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-20-benzoyl-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide |
| Synonyms | Source |
|---|---|
| Benzoylsuccinyl-CoA | KEGG COMPOUND |
| 2-Benzoylsuccinyl-CoA | KEGG COMPOUND |
| 2-benzoylsuccinyl-coenzyme A | ChEBI |
| 2-benzoylsuccinoyl-coenzyme A | ChEBI |
| 2-benzoylsuccinoyl-CoA | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C09820 | KEGG COMPOUND |
| Citations |
|---|