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CHEBI:15471 - trans-dodec-2-enoyl-CoA
| Formula | C33H56N7O17P3S |
| Net Charge | 0 |
| Average Mass | 947.832 |
| Monoisotopic Mass | 947.26662 |
| SMILES | CCCCCCCCC/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/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b13-12+/t22-,26-,27-,28+,32-/m1/s1 |
| InChIKey | IRFYVBULXZMEDE-DEEZISNZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| Biological Roles: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| trans-dodec-2-enoyl-CoA (CHEBI:15471) has functional parent trans-2-dodecenoic acid (CHEBI:37162) |
| trans-dodec-2-enoyl-CoA (CHEBI:15471) has functional parent coenzyme A (CHEBI:15346) |
| trans-dodec-2-enoyl-CoA (CHEBI:15471) has role Escherichia coli metabolite (CHEBI:76971) |
| trans-dodec-2-enoyl-CoA (CHEBI:15471) has role mouse metabolite (CHEBI:75771) |
| trans-dodec-2-enoyl-CoA (CHEBI:15471) is a trans-2-enoyl-CoA (CHEBI:50998) |
| trans-dodec-2-enoyl-CoA (CHEBI:15471) is a dodecenoyl-CoA (CHEBI:23869) |
| trans-dodec-2-enoyl-CoA (CHEBI:15471) is conjugate acid of trans-dodec-2-enoyl-CoA(4−) (CHEBI:57330) |
| Incoming Relation(s) |
| trans-dodec-2-enoyl-CoA(4−) (CHEBI:57330) is conjugate base of trans-dodec-2-enoyl-CoA (CHEBI:15471) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-dodec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 2-trans-Dodecenoyl-CoA | KEGG COMPOUND |
| (2E)-Dodecenoyl-CoA | KEGG COMPOUND |
| (2E)-Dodec-2-enoyl-CoA | KEGG COMPOUND |