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CHEBI:77548 - trans-2-undecenoyl-CoA(4−)
| Formula | C32H50N7O17P3S |
| Net Charge | -4 |
| Average Mass | 929.773 |
| Monoisotopic Mass | 929.22187 |
| SMILES | CCCCCCCC/C=C/C(=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/C32H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h11-12,19-21,25-27,31,42-43H,4-10,13-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/p-4/b12-11+/t21-,25-,26-,27+,31-/m1/s1 |
| InChIKey | CAVMKINPGRCURL-PHHHIDLGSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| trans-2-undecenoyl-CoA(4−) (CHEBI:77548) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856) |
| trans-2-undecenoyl-CoA(4−) (CHEBI:77548) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546) |
| trans-2-undecenoyl-CoA(4−) (CHEBI:77548) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331) |
| trans-2-undecenoyl-CoA(4−) (CHEBI:77548) is conjugate base of trans-2-undecenoyl-CoA (CHEBI:78177) |
| Incoming Relation(s) |
| trans-2-undecenoyl-CoA (CHEBI:78177) is conjugate acid of trans-2-undecenoyl-CoA(4−) (CHEBI:77548) |
| IUPAC Name |
|---|
| 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E)-undec-2-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] diphosphate} |
| Synonyms | Source |
|---|---|
| (E)-2-undecenoyl-coenzyme A(4−) | ChEBI |
| (E)-2-undecenoyl-CoA(4−) | ChEBI |
| trans-2-undecenoyl-coenzyme A(4−) | ChEBI |
| 2E-undecenoyl-CoA | MetaCyc |
| 2-trans-undecenoyl-CoA | MetaCyc |
| UniProt Name | Source |
|---|---|
| trans-2-undecenoyl-CoA | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-15656 | MetaCyc |
| Citations |
|---|