CHEBI:85880 - 2,3-dehydrobehenoyl-CoA

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ChEBI Name 2,3-dehydrobehenoyl-CoA
ChEBI ID CHEBI:85880
Definition An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-docosenoic acid. The product of dehydrogenation of behenoyl-CoA
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information
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Formula C43H76N7O17P3S
Net Charge 0
Average Mass 1088.08700
Monoisotopic Mass 1087.42313
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)/t32-,36-,37-,38+,42-/m1/s1
InChIKey KRTIFNFQCJTGMV-GNSUAQHMSA-N
SMILES CCCCCCCCCCCCCCCCCCCC=CC(=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
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2,3-dehydrobehenoyl-CoA (CHEBI:85880) is a alk-2-enoyl-CoA (CHEBI:15469)
2,3-dehydrobehenoyl-CoA (CHEBI:85880) is a long-chain fatty acyl-CoA (CHEBI:33184)
2,3-dehydrobehenoyl-CoA (CHEBI:85880) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(docos-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate}
Synonyms Sources
2,3-dehydrobehenoyl-coenzyme A ChEBI
2-docosenoyl-CoA ChEBI
2-docosenoyl-coenzyme A ChEBI
DBH-CoA SUBMITTER
docos-2-enoyl-CoA ChEBI
docos-2-enoyl-coenzyme A ChEBI
Last Modified
05 February 2018