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CHEBI:74011 - (11Z)-3-oxoicosa-11-enoyl-CoA(4−)
| Formula | C41H66N7O18P3S |
| Net Charge | -4 |
| Average Mass | 1069.999 |
| Monoisotopic Mass | 1069.34198 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-] |
| InChI | InChI=1S/C41H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h11-12,27-28,30,34-36,40,52-53H,4-10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b12-11-/t30-,34-,35-,36+,40-/m1/s1 |
| InChIKey | ASKKPQKSCFYPPP-FVLDFCIYSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (11Z)-3-oxoicosa-11-enoyl-CoA(4−) (CHEBI:74011) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347) |
| (11Z)-3-oxoicosa-11-enoyl-CoA(4−) (CHEBI:74011) is conjugate base of (11Z)-3-oxoicosa-11-enoyl-CoA (CHEBI:74037) |
| Incoming Relation(s) |
| (11Z)-3-oxoicosa-11-enoyl-CoA (CHEBI:74037) is conjugate acid of (11Z)-3-oxoicosa-11-enoyl-CoA(4−) (CHEBI:74011) |
| IUPAC Name |
|---|
| 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(11Z)-3-oxoicos-11-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate} |
| Synonyms | Source |
|---|---|
| 3-oxo-(11Z)-icosa-11-enoyl-CoA(4−) | SUBMITTER |
| 3-oxo-(11Z)-eicosa-11-enoyl-coenzyme A(4−) | SUBMITTER |
| 3-keto-(11Z)-eicosa-11-enoyl-CoA(4−) | SUBMITTER |
| 3-keto-(11Z)-eicosa-11-enoyl-coenzyme A(4−) | SUBMITTER |
| 3-oxo-(11Z)-icosa-11-enoyl-coenzyme A(4−) | SUBMITTER |
| 3-keto-(11Z)-icosa-11-enoyl-coenzyme A(4−) | SUBMITTER |
| UniProt Name | Source |
|---|---|
| 3-oxo-(11Z)-eicosenoyl-CoA | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-14300 | MetaCyc |