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CHEBI:62555 - 3-hydroxyisovaleryl-CoA(4−)

ChEBI IDCHEBI:62555
ChEBI Name3-hydroxyisovaleryl-CoA(4−)
Stars
ASCII Name3-hydroxyisovaleryl-CoA(4-)
DefinitionAn acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of 3-hydroxyisovaleryl-CoA. Major species at pH 7.3.
Last Modified2 August 2011
SubmitterEugeni Belda
DownloadsMolfile
FormulaC26H40N7O18P3S
Net Charge-4
Average Mass863.626
Monoisotopic Mass863.13853
SMILESCC(C)(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/C26H44N7O18P3S/c1-25(2,20(37)23(38)29-6-5-15(34)28-7-8-55-16(35)9-26(3,4)39)11-48-54(45,46)51-53(43,44)47-10-14-19(50-52(40,41)42)18(36)24(49-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37,39H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t14-,18-,19-,20+,24-/m1/s1
InChIKeyPEVZKILCBDEOBT-CITAKDKDSA-J
ChEBI Ontology
Outgoing Relation(s)
3-hydroxyisovaleryl-CoA(4−) (CHEBI:62555) is a acyl-CoA oxoanion (CHEBI:58946)
3-hydroxyisovaleryl-CoA(4−) (CHEBI:62555) is conjugate base of 3-hydroxyisovaleryl-CoA (CHEBI:28291)
Incoming Relation(s)
3-hydroxyisovaleryl-CoA (CHEBI:28291) is conjugate acid of 3-hydroxyisovaleryl-CoA(4−) (CHEBI:62555)
Synonyms  Source
3-hydroxy-3-methylbutanoyl-CoA (4−)SUBMITTER
3-hydroxy-3-methylbutyryl-CoA (4−)SUBMITTER
3-hydroxyisovaleryl-CoA (4−)ChEBI
3-hydroxy-3-methylbutyryl-CoA(4−)ChEBI
3-hydroxy-3-methylbutanoyl-CoA(4−)ChEBI
3-hydroxyisovaleryl coenzyme A(4−)ChEBI
UniProt Name  Source
3-hydroxyisovaleryl-CoAUniProt
Manual XrefsDatabases
3-HYDROXY-ISOVALERYL-COAMetaCyc