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

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ChEBI Name 2-hydroxyisovaleryl-CoA(4−) ChEBI ID CHEBI:138296 ChEBI ASCII Name 2-hydroxyisovaleryl-CoA(4-) Definition A fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxyisovaleryl-CoA; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Lucila Aimo Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H40N7O18P3S Net Charge -4 Average Mass 863.620 Monoisotopic Mass 863.13853 InChI InChI=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 InChIKey OSGWCUXYFMVTPH-MPVICIIESA-J SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(C(C)C)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O ChEBI Ontology Outgoing 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 2-hydroxyisovaleryl-CoA (CHEBI:138964) is conjugate acid of 2-hydroxyisovaleryl-CoA(4−) (CHEBI:138296) Synonyms Sources 2-hydroxy-3-methylbutanoyl-CoA UniProt 2-hydroxy-3-methylbutanoyl-CoA(4−) SUBMITTER Citation Type Source 12031666 PubMed citation SUBMITTER Last Modified 08 November 2017