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CHEBI:138959 - 2-hydroxydecanoyl-CoA

ChEBI IDCHEBI:138959
ChEBI Name2-hydroxydecanoyl-CoA
Stars
DefinitionA hydroxy fatty-acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxydecanoic acid.
Last Modified8 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC31H54N7O18P3S
Net Charge0
Average Mass937.793
Monoisotopic Mass937.24589
SMILESCCCCCCCCC(O)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
InChIInChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-10-19(39)30(44)60-14-13-33-21(40)11-12-34-28(43)25(42)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-24(55-57(45,46)47)23(41)29(54-20)38-18-37-22-26(32)35-17-36-27(22)38/h17-20,23-25,29,39,41-42H,4-16H2,1-3H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19?,20-,23-,24-,25+,29-/m1/s1
InChIKeyPQDFXIRPSAHPRP-DCLPJPSESA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxydecanoyl-CoA (CHEBI:138959) has functional parent 2-hydroxydecanoic acid (CHEBI:133172)
2-hydroxydecanoyl-CoA (CHEBI:138959) is a hydroxy fatty acyl-CoA (CHEBI:61902)
2-hydroxydecanoyl-CoA (CHEBI:138959) is a medium-chain fatty acyl-CoA (CHEBI:61907)
2-hydroxydecanoyl-CoA (CHEBI:138959) is conjugate acid of 2-hydroxydecanoyl-CoA(4−) (CHEBI:138292)
Incoming Relation(s)
2-hydroxydecanoyl-CoA(4−) (CHEBI:138292) is conjugate base of 2-hydroxydecanoyl-CoA (CHEBI:138959)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxydecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
2-hydroxydecanoyl-coenzyme AChEBI