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 No supplier information found for this compound.
Download Molfile XML SDF
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