EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:232625 - (11Z)-docosenoyl-CoA(4-)

ChEBI IDCHEBI:232625
ChEBI Name(11Z)-docosenoyl-CoA(4-)
Stars
DefinitionA docosenoyl-CoA obtained by deprotonation of the phosphate and diphosphate OH groups of a docosenoyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of the cetoleic acid.
Last Modified13 December 2024
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC43H72N7O17P3S
Net Charge-4
Average Mass1084.070
Monoisotopic Mass1083.39402
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=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/h13-14,30-32,36-38,42,53-54H,4-12,15-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b14-13-/t32-,36-,37-,38+,42-/m1/s1
InChIKeyNHZRWTQFSQTCJG-OVCNQHBTSA-J
ChEBI Ontology
Outgoing Relation(s)
(11Z)-docosenoyl-CoA(4-) (CHEBI:232625) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
Synonym  Source
(11Z)-docos-11-enoyl-CoASUBMITTER
UniProt Name  Source
(11Z)-docosenoyl-CoA(4−)UniProt
Manual XrefsDatabases
HMDB0301375HMDB