CHEBI:230464 - cis-dodec-5-enoyl-CoA(4-)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name cis-dodec-5-enoyl-CoA(4-)
ChEBI ID CHEBI:230464
Definition An acyl-CoA(4-) species arising from deprotonation of the phosphate and diphosphate OH groups of cis-dodec-5-enoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter AnneNiknejad
Supplier Information
Download Molfile XML SDF
Formula C33H52N7O17P3S
Net Charge -4
Average Mass 943.790
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/h9-10,20-22,26-28,32,43-44H,4-8,11-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b10-9-/t22-,26-,27-,28+,32-/m0/s1
InChIKey RCVJZGBRLGUTKT-CQTYRIRFSA-J
SMILES C(C/C=C\CCCCCC)CC(SCCNC(CCNC([C@H](C(COP(OP(OC[C@H]1[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](N2C3=C(C(=NC=N3)N)N=C2)O1)(=O)[O-])(=O)[O-])(C)C)O)=O)=O)=O
ChEBI Ontology
Outgoing cis-dodec-5-enoyl-CoA(4-) (CHEBI:230464) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
(5Z)-dodecenoyl-CoA UniProt
CE0695 SUBMITTER
Manual Xref Database
CPD-19148 MetaCyc accession
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