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CHEBI:138292 - 2-hydroxydecanoyl-CoA(4−)

ChEBI IDCHEBI:138292
ChEBI Name2-hydroxydecanoyl-CoA(4−)
Stars
ASCII Name2-hydroxydecanoyl-CoA(4-)
DefinitionA fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxydecanoyl-CoA; major species at pH 7.3.
Last Modified8 November 2017
Submitterlaimo
DownloadsMolfile
FormulaC31H50N7O18P3S
Net Charge-4
Average Mass933.761
Monoisotopic Mass933.21678
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)/p-4/t19?,20-,23-,24-,25+,29-/m1/s1
InChIKeyPQDFXIRPSAHPRP-DCLPJPSESA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxydecanoyl-CoA(4−) (CHEBI:138292) has functional parent decanoyl-CoA(4−) (CHEBI:61430)
2-hydroxydecanoyl-CoA(4−) (CHEBI:138292) is a 2-hydroxy-fatty acyl-CoA(4−) (CHEBI:157766)
2-hydroxydecanoyl-CoA(4−) (CHEBI:138292) is a fatty acyl-CoA(4−) (CHEBI:77636)
2-hydroxydecanoyl-CoA(4−) (CHEBI:138292) is conjugate base of 2-hydroxydecanoyl-CoA (CHEBI:138959)
Incoming Relation(s)
2-hydroxydecanoyl-CoA (CHEBI:138959) is conjugate acid of 2-hydroxydecanoyl-CoA(4−) (CHEBI:138292)
Synonym  Source
2-hydroxydecanoyl-coenzyme A(4−)SUBMITTER
UniProt Name  Source
2-hydroxydecanoyl-CoAUniProt
Citations