EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138964 - 2-hydroxyisovaleryl-CoA

ChEBI IDCHEBI:138964
ChEBI Name2-hydroxyisovaleryl-CoA
Stars
DefinitionA 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.
Last Modified8 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC26H44N7O18P3S
Net Charge0
Average Mass867.658
Monoisotopic Mass867.16764
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)/t14-,17?,18-,19-,20+,24-/m1/s1
InChIKeyOSGWCUXYFMVTPH-MPVICIIESA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
2-hydroxy-3-methylbutanoyl-coenzyme AChEBI
2-hydroxyisovaleryl-coenzyme AChEBI
2-hydroxy-3-methylbutanoyl-CoAChEBI