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CHEBI:86338 - 3-hydroxydecanoyl-CoA

ChEBI IDCHEBI:86338
ChEBI Name3-hydroxydecanoyl-CoA
Stars
DefinitionA 3-hydroxy-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxydecanoic acid.
Last Modified6 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC31H54N7O18P3S
Net Charge0
Average Mass937.793
Monoisotopic Mass937.24589
SMILESCCCCCCCC(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/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19?,20-,24-,25-,26+,30-/m1/s1
InChIKeyHIVSMYZAMUNFKZ-OUDFDEKCSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxydecanoyl-CoA (CHEBI:86338) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
3-hydroxydecanoyl-CoA (CHEBI:86338) is a medium-chain fatty acyl-CoA (CHEBI:61907)
3-hydroxydecanoyl-CoA (CHEBI:86338) is conjugate acid of 3-hydroxydecanoyl-CoA(4−) (CHEBI:86041)
Incoming Relation(s)
(R)-3-hydroxydecanoyl-CoA (CHEBI:74405) is a 3-hydroxydecanoyl-CoA (CHEBI:86338)
(S)-3-hydroxydecanoyl-CoA (CHEBI:28325) is a 3-hydroxydecanoyl-CoA (CHEBI:86338)
3-hydroxydecanoyl-CoA(4−) (CHEBI:86041) is conjugate base of 3-hydroxydecanoyl-CoA (CHEBI:86338)
Synonyms  Source
3-hydroxydecanoyl-coenzyme AChEBI
3-hydroxycapryl-CoAChEBI
3-hydroxycapryl-coenzyme AChEBI
Manual XrefsDatabases
CPD-15694MetaCyc