CHEBI:74692 - trans-2-docosenoyl-CoA(4−)

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ChEBI Name trans-2-docosenoyl-CoA(4−)
ChEBI ID CHEBI:74692
ChEBI ASCII Name trans-2-docosenoyl-CoA(4-)
Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of trans-2-docosenoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Hnin
Supplier Information
Download Molfile XML SDF
Formula C43H72N7O17P3S
Net Charge -4
Average Mass 1084.05500
Monoisotopic Mass 1083.39402
InChI InChI=1S/C43H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h22-23,30-32,36-38,42,53-54H,4-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b23-22+/t32-,36-,37-,38+,42-/m1/s1
InChIKey KRTIFNFQCJTGMV-DYAVHEMFSA-J
SMILES CCCCCCCCCCCCCCCCCCC\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
ChEBI Ontology
Outgoing trans-2-docosenoyl-CoA(4−) (CHEBI:74692) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
trans-2-docosenoyl-CoA(4−) (CHEBI:74692) is conjugate base of trans-2-docosenoyl-CoA (CHEBI:75064)
Incoming trans-2-docosenoyl-CoA (CHEBI:75064) is conjugate acid of trans-2-docosenoyl-CoA(4−) (CHEBI:74692)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-docos-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
(2E)-docosenoyl-CoA UniProt
(E)-2-docosenoyl-CoA(4−) ChEBI
(E)-2-docosenoyl-coenzyme A(4−) ChEBI
trans-2-docosenoyl-coenzyme A(4−) ChEBI
Manual Xref Database
CPD-14281 MetaCyc
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Last Modified
03 February 2015