CHEBI:15471 - trans-dodec-2-enoyl-CoA

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ChEBI Name trans-dodec-2-enoyl-CoA ChEBI ID CHEBI:15471 ChEBI ASCII Name trans-dodec-2-enoyl-CoA Definition An acyl-CoA having trans-dodec-2-enoyl as the S-acyl group. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1287, CHEBI:19790, CHEBI:11489 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C33H56N7O17P3S Net Charge 0 Average Mass 947.82200 Monoisotopic Mass 947.26663 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 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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Escherichia coli (NCBI:txid562) See: PubMed Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) Biological Role(s): Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Sources (2E)-Dodec-2-enoyl-CoA KEGG COMPOUND (2E)-Dodecenoyl-CoA KEGG COMPOUND 2-trans-Dodecenoyl-CoA KEGG COMPOUND Manual Xref Database C03221 KEGG COMPOUND View more database links Last Modified 02 February 2018