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CHEBI:131780 - 2-hydroxyisobutanoyl-CoA(4−)

ChEBI IDCHEBI:131780
ChEBI Name2-hydroxyisobutanoyl-CoA(4−)
Stars
ASCII Name2-hydroxyisobutanoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of 2-hydroxyisobutanoyl-CoA; major species at pH 7.3
Last Modified2 June 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H38N7O18P3S
Net Charge-4
Average Mass849.599
Monoisotopic Mass849.12288
SMILESCC(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/C25H42N7O18P3S/c1-24(2,18(35)21(36)28-6-5-14(33)27-7-8-54-23(37)25(3,4)38)10-47-53(44,45)50-52(42,43)46-9-13-17(49-51(39,40)41)16(34)22(48-13)32-12-31-15-19(26)29-11-30-20(15)32/h11-13,16-18,22,34-35,38H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t13-,16-,17-,18+,22-/m1/s1
InChIKeyFFVUICCDNWZCRC-ZSJPKINUSA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyisobutanoyl-CoA(4−) (CHEBI:131780) is a acyl-CoA(4−) (CHEBI:58342)
2-hydroxyisobutanoyl-CoA(4−) (CHEBI:131780) is conjugate base of 2-hydroxyisobutanoyl-CoA (CHEBI:132116)
Incoming Relation(s)
2-hydroxyisobutanoyl-CoA (CHEBI:132116) is conjugate acid of 2-hydroxyisobutanoyl-CoA(4−) (CHEBI:131780)
Synonyms  Source
2-hydroxyisobutanoyl-coenzyme A(4−)ChEBI
2-hydroxyisobutyryl-CoA(4−)ChEBI
2-hydroxyisobutyryl-coenzyme A(4−)ChEBI
UniProt Name  Source
2-hydroxyisobutanoyl-CoAUniProt
Manual XrefsDatabases
CPD-19040MetaCyc
Citations