EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:88072 - (3S,5Z)-3-hydroxytetradec-5-enoyl-CoA

ChEBI IDCHEBI:88072
ChEBI Name(3S,5Z)-3-hydroxytetradec-5-enoyl-CoA
Stars
ASCII Name(3S,5Z)-3-hydroxytetradec-5-enoyl-CoA
DefinitionA long-chain (3S)-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3S,5Z)-3-hydroxytetradec-5-enoic acid.
Last Modified18 March 2024
SubmitterSteve
DownloadsMolfile
FormulaC35H60N7O18P3S
Net Charge0
Average Mass991.885
Monoisotopic Mass991.29284
SMILESCCCCCCCC/C=C\C[C@H](O)CC(=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/C35H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h11-12,21-24,28-30,34,43,46-47H,4-10,13-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/b12-11-/t23-,24+,28+,29+,30-,34+/m0/s1
InChIKeyKJJPUIFALMAQPF-SUAKZGBESA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(3S,5Z)-3-hydroxytetradec-5-enoyl-CoA (CHEBI:88072) is a long-chain (3S)-hydroxy fatty acyl-CoA (CHEBI:137639)
(3S,5Z)-3-hydroxytetradec-5-enoyl-CoA (CHEBI:88072) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
(3S,5Z)-3-hydroxytetradec-5-enoyl-CoA (CHEBI:88072) is conjugate acid of (3S,5Z)-3-hydroxytetradec-5-enoyl-CoA(4−) (CHEBI:87705)
Incoming Relation(s)
(3S,5Z)-3-hydroxytetradec-5-enoyl-CoA(4−) (CHEBI:87705) is conjugate base of (3S,5Z)-3-hydroxytetradec-5-enoyl-CoA (CHEBI:88072)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S,5Z)-3-hydroxytetradec-5-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
(3S,5Z)-3-hydroxytetradec-5-enoyl-coenzyme AChEBI