EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:74574 - pentadecanoyl-CoA

ChEBI IDCHEBI:74574
ChEBI Namepentadecanoyl-CoA
Stars
DefinitionA long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of pentadecanoic acid.
Last Modified7 June 2024
SubmitterSteve
DownloadsMolfile
FormulaC36H64N7O17P3S
Net Charge0
Average Mass991.929
Monoisotopic Mass991.32922
SMILESCCCCCCCCCCCCCCC(=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/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h23-25,29-31,35,46-47H,4-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t25-,29-,30-,31+,35-/m1/s1
InChIKeyVLBCUOVMSMAIJC-VTINEICCSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
pentadecanoyl-CoA (CHEBI:74574) has functional parent pentadecanoic acid (CHEBI:42504)
pentadecanoyl-CoA (CHEBI:74574) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
pentadecanoyl-CoA (CHEBI:74574) is a long-chain fatty acyl-CoA (CHEBI:33184)
pentadecanoyl-CoA (CHEBI:74574) is a saturated fatty acyl-CoA (CHEBI:231546)
pentadecanoyl-CoA (CHEBI:74574) is conjugate acid of pentadecanoyl-CoA(4−) (CHEBI:74309)
Incoming Relation(s)
pentadecanoyl-CoA(4−) (CHEBI:74309) is conjugate base of pentadecanoyl-CoA (CHEBI:74574)
IUPAC Name 
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(pentadecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)
Synonym  Source
pentadecanoyl-coenzyme AChEBI
Manual XrefsDatabases
CPD-14724MetaCyc