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

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ChEBI Name 3-hydroxydecanoyl-CoA(4−)
ChEBI ID CHEBI:86041
ChEBI ASCII Name 3-hydroxydecanoyl-CoA(4-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
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Formula C31H50N7O18P3S
Net Charge -4
Average Mass 933.75300
Monoisotopic Mass 933.21678
InChI InChI=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
InChIKey HIVSMYZAMUNFKZ-OUDFDEKCSA-J
SMILES CCCCCCCC(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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing 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 (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 Sources
3-hydroxycapryl-CoA(4−) ChEBI
3-hydroxycapryl-coenzyme A(4−) ChEBI
3-hydroxydecanoyl-CoA UniProt
3-hydroxydecanoyl-coenzyme A(4−) ChEBI
Manual Xref Database
CPD-15694 MetaCyc
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Last Modified
09 December 2015