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CHEBI:138290 - 2-hydroxyoctanoyl-CoA(4−)

ChEBI IDCHEBI:138290
ChEBI Name2-hydroxyoctanoyl-CoA(4−)
Stars
ASCII Name2-hydroxyoctanoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxyoctanoyl-CoA; major species at pH 7.3.
Last Modified8 November 2017
Submitterlaimo
DownloadsMolfile
FormulaC29H46N7O18P3S
Net Charge-4
Average Mass905.707
Monoisotopic Mass905.18548
SMILESCCCCCCC(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/C29H50N7O18P3S/c1-4-5-6-7-8-17(37)28(42)58-12-11-31-19(38)9-10-32-26(41)23(40)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-22(53-55(43,44)45)21(39)27(52-18)36-16-35-20-24(30)33-15-34-25(20)36/h15-18,21-23,27,37,39-40H,4-14H2,1-3H3,(H,31,38)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/p-4/t17?,18-,21-,22-,23+,27-/m1/s1
InChIKeyOVBGFRQBFVNBFL-PMDCUQHOSA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyoctanoyl-CoA(4−) (CHEBI:138290) has functional parent octanoyl-CoA(4−) (CHEBI:57386)
2-hydroxyoctanoyl-CoA(4−) (CHEBI:138290) is a 2-hydroxy-fatty acyl-CoA(4−) (CHEBI:157766)
2-hydroxyoctanoyl-CoA(4−) (CHEBI:138290) is a fatty acyl-CoA(4−) (CHEBI:77636)
2-hydroxyoctanoyl-CoA(4−) (CHEBI:138290) is conjugate base of 2-hydroxyoctanoyl-CoA (CHEBI:138941)
Incoming Relation(s)
2-hydroxyoctanoyl-CoA (CHEBI:138941) is conjugate acid of 2-hydroxyoctanoyl-CoA(4−) (CHEBI:138290)
Synonyms  Source
2-hydroxyoctanoyl-coenzyme A(4−)SUBMITTER
2-hydroxycapryloyl-CoA(4−)SUBMITTER
UniProt Name  Source
2-hydroxyoctanoyl-CoAUniProt
Citations