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CHEBI:86041 - 3-hydroxydecanoyl-CoA(4−)

ChEBI IDCHEBI:86041
ChEBI Name3-hydroxydecanoyl-CoA(4−)
Stars
ASCII Name3-hydroxydecanoyl-CoA(4-)
DefinitionA 3-hydroxy fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxydecanoyl-CoA; major species at pH 7.3.
Last Modified9 December 2015
Submitterlaimo
DownloadsMolfile
FormulaC31H50N7O18P3S
Net Charge-4
Average Mass933.761
Monoisotopic Mass933.21678
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)/p-4/t19?,20-,24-,25-,26+,30-/m1/s1
InChIKeyHIVSMYZAMUNFKZ-OUDFDEKCSA-J
ChEBI Ontology
Outgoing Relation(s)
3-hydroxydecanoyl-CoA(4−) (CHEBI:86041) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
3-hydroxydecanoyl-CoA(4−) (CHEBI:86041) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
3-hydroxydecanoyl-CoA(4−) (CHEBI:86041) is conjugate base of 3-hydroxydecanoyl-CoA (CHEBI:86338)
Incoming Relation(s)
(R)-3-hydroxydecanoyl-CoA(4−) (CHEBI:74272) is a 3-hydroxydecanoyl-CoA(4−) (CHEBI:86041)
(S)-3-hydroxydecanoyl-CoA(4−) (CHEBI:62616) is a 3-hydroxydecanoyl-CoA(4−) (CHEBI:86041)
3-hydroxydecanoyl-CoA (CHEBI:86338) is conjugate acid of 3-hydroxydecanoyl-CoA(4−) (CHEBI:86041)
Synonyms  Source
3-hydroxycapryl-coenzyme A(4−)ChEBI
3-hydroxydecanoyl-coenzyme A(4−)ChEBI
3-hydroxycapryl-CoA(4−)ChEBI
UniProt Name  Source
3-hydroxydecanoyl-CoAUniProt
Manual XrefsDatabases
CPD-15694MetaCyc