EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:233725 - 3-Hydroxy-2,6,10,14-tetramethylhexadec-2-enedioic acid CoA

Default Structure
ChEBI IDCHEBI:233725
ChEBI Name3-Hydroxy-2,6,10,14-tetramethylhexadec-2-enedioic acid CoA
Stars
DefinitionA 3-hydroxy tetramethyl dicarboxy acyl coa that results from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of 3-Hydroxy-2,6,10,14-tetramethylhexadec-2-enedioic acid.
Last Modified21 May 2026
SubmitterJoanne
DownloadsMolfile
FormulaC41H67N7O20P3S
Net Charge-5
Average Mass1103.005
Monoisotopic Mass1102.34019
SMILESCC(CCCC(C)CCC(O)C(C)C(=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-])CCCC(C)CC(=O)[O-]
InChIInChI=1S/C41H72N7O20P3S/c1-24(10-8-12-26(3)19-31(51)52)9-7-11-25(2)13-14-28(49)27(4)40(56)72-18-17-43-30(50)15-16-44-38(55)35(54)41(5,6)21-65-71(62,63)68-70(60,61)64-20-29-34(67-69(57,58)59)33(53)39(66-29)48-23-47-32-36(42)45-22-46-37(32)48/h22-29,33-35,39,49,53-54H,7-21H2,1-6H3,(H,43,50)(H,44,55)(H,51,52)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/p-5/t24?,25?,26?,27?,28?,29-,33-,34-,35+,39-/m1/s1
InChIKeyYORFLGLNBLBVEX-WWPFAGBTSA-I
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-2,6,10,14-tetramethylhexadec-2-enedioic acid CoA (CHEBI:233725) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
3-Hydroxy-2,6,10,14-tetramethylhexadec-2-enedioic acid CoA (CHEBI:233725) is a fatty acyl-CoA (CHEBI:37554)
3-Hydroxy-2,6,10,14-tetramethylhexadec-2-enedioic acid CoA (CHEBI:233725) is a human metabolite (CHEBI:77746)
3-Hydroxy-2,6,10,14-tetramethylhexadec-2-enedioic acid CoA (CHEBI:233725) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
3-Hydroxy-2,6,10,14-tetramethylhexadec-2-enedioic acid CoA (CHEBI:233725) is a organic molecular entity (CHEBI:50860)
Incoming Relation(s)
3-Oxo-2,6,10,14-tetramethylhexadec-2-enedioic acid CoA (CHEBI:233726) has functional parent 3-Hydroxy-2,6,10,14-tetramethylhexadec-2-enedioic acid CoA (CHEBI:233725)
IUPAC Name 
16-[(2-{3-[(2R)-3-[({[({[(2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-14-hydroxy-3,7,11,15-tetramethyl-16-oxohexadecanoic acid
Citations