CHEBI:138964 - 2-hydroxyisovaleryl-CoA

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ChEBI Name 2-hydroxyisovaleryl-CoA
ChEBI ID CHEBI:138964
Definition A hydroxy fatty-acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxyisovaleric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H44N7O18P3S
Net Charge 0
Average Mass 867.652
Monoisotopic Mass 867.16764
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)/t14-,17?,18-,19-,20+,24-/m1/s1
InChIKey OSGWCUXYFMVTPH-MPVICIIESA-N
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
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-hydroxyisovaleryl-CoA (CHEBI:138964) has functional parent 2-hydroxy-3-methylbutyric acid (CHEBI:60645)
2-hydroxyisovaleryl-CoA (CHEBI:138964) is a 2-hydroxy-3-methylacyl-CoA (CHEBI:49173)
2-hydroxyisovaleryl-CoA (CHEBI:138964) is a hydroxy fatty acyl-CoA (CHEBI:61902)
2-hydroxyisovaleryl-CoA (CHEBI:138964) is a short-chain fatty acyl-CoA (CHEBI:61905)
2-hydroxyisovaleryl-CoA (CHEBI:138964) is conjugate acid of 2-hydroxyisovaleryl-CoA(4−) (CHEBI:138296)
Incoming 2-hydroxyisovaleryl-CoA(4−) (CHEBI:138296) is conjugate base of 2-hydroxyisovaleryl-CoA (CHEBI:138964)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxy-3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
2-hydroxy-3-methylbutanoyl-CoA ChEBI
2-hydroxy-3-methylbutanoyl-coenzyme A ChEBI
2-hydroxyisovaleryl-coenzyme A ChEBI
Last Modified
08 November 2017