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CHEBI:138296 - 2-hydroxyisovaleryl-CoA(4−)

ChEBI IDCHEBI:138296
ChEBI Name2-hydroxyisovaleryl-CoA(4−)
Stars
ASCII Name2-hydroxyisovaleryl-CoA(4-)
DefinitionA fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxyisovaleryl-CoA; major species at pH 7.3.
Last Modified8 November 2017
Submitterlaimo
DownloadsMolfile
FormulaC26H40N7O18P3S
Net Charge-4
Average Mass863.626
Monoisotopic Mass863.13853
SMILESCC(C)C(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/C26H44N7O18P3S/c1-13(2)17(35)25(39)55-8-7-28-15(34)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-14-19(50-52(40,41)42)18(36)24(49-14)33-12-32-16-21(27)30-11-31-22(16)33/h11-14,17-20,24,35-37H,5-10H2,1-4H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t14-,17?,18-,19-,20+,24-/m1/s1
InChIKeyOSGWCUXYFMVTPH-MPVICIIESA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyisovaleryl-CoA(4−) (CHEBI:138296) has functional parent isovaleryl-CoA(4−) (CHEBI:57345)
2-hydroxyisovaleryl-CoA(4−) (CHEBI:138296) is a 2-hydroxy-3-methylacyl-CoA(4−) (CHEBI:58783)
2-hydroxyisovaleryl-CoA(4−) (CHEBI:138296) is a 2-hydroxy-fatty acyl-CoA(4−) (CHEBI:157766)
2-hydroxyisovaleryl-CoA(4−) (CHEBI:138296) is a fatty acyl-CoA(4−) (CHEBI:77636)
2-hydroxyisovaleryl-CoA(4−) (CHEBI:138296) is conjugate base of 2-hydroxyisovaleryl-CoA (CHEBI:138964)
Incoming Relation(s)
2-hydroxyisovaleryl-CoA (CHEBI:138964) is conjugate acid of 2-hydroxyisovaleryl-CoA(4−) (CHEBI:138296)
Synonym  Source
2-hydroxy-3-methylbutanoyl-CoA(4−)SUBMITTER
UniProt Name  Source
2-hydroxy-3-methylbutanoyl-CoAUniProt
Citations