CHEBI:57330 - trans-dodec-2-enoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trans-dodec-2-enoyl-CoA(4−)
ChEBI ID CHEBI:57330
ChEBI ASCII Name trans-dodec-2-enoyl-CoA(4-)
Definition Tetraanion of trans-dodec-2-enoyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C33H52N7O17P3S
Net Charge -4
Average Mass 943.78900
Monoisotopic Mass 943.23752
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)/p-4/b13-12+/t22-,26-,27-,28+,32-/m1/s1
InChIKey IRFYVBULXZMEDE-DEEZISNZSA-J
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
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing trans-dodec-2-enoyl-CoA(4−) (CHEBI:57330) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
trans-dodec-2-enoyl-CoA(4−) (CHEBI:57330) has role human metabolite (CHEBI:77746)
trans-dodec-2-enoyl-CoA(4−) (CHEBI:57330) is a medium-chain 2,3-trans-enoyl CoA(4−) (CHEBI:83726)
trans-dodec-2-enoyl-CoA(4−) (CHEBI:57330) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
trans-dodec-2-enoyl-CoA(4−) (CHEBI:57330) is conjugate base of trans-dodec-2-enoyl-CoA (CHEBI:15471)
Incoming trans-dodec-2-enoyl-CoA (CHEBI:15471) is conjugate acid of trans-dodec-2-enoyl-CoA(4−) (CHEBI:57330)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-dodec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonym Source
(2E)-dodecenoyl-CoA UniProt
Last Modified
29 June 2023