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CHEBI:15449 - (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA

ChEBI IDCHEBI:15449
ChEBI Name(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA
Stars
ASCII Name(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA
DefinitionAn (S)-3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2S,3S)-3-hydroxy-2-methylbutanoic acid.
Secondary ChEBI IDsCHEBI:191, CHEBI:10871, CHEBI:18552, CHEBI:18553
Last Modified21 November 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H44N7O18P3S
Net Charge0
Average Mass867.658
Monoisotopic Mass867.16764
SMILESC[C@H](O)[C@H](C)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(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t13-,14-,15+,18+,19+,20-,24+/m0/s1
InChIKeyPEKYNTFSOBAABV-LQUDNSJZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA (CHEBI:15449) has functional parent (2S,3S)-3-hydroxy-2-methylbutanoic acid (CHEBI:37052)
(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA (CHEBI:15449) has functional parent butyryl-CoA (CHEBI:15517)
(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA (CHEBI:15449) has role mouse metabolite (CHEBI:75771)
(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA (CHEBI:15449) is a (S)-3-hydroxyacyl-CoA (CHEBI:15455)
(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA (CHEBI:15449) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA (CHEBI:15449) is a hydroxybutanoyl-CoA (CHEBI:24685)
(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA (CHEBI:15449) is a methylbutanoyl-CoA (CHEBI:25286)
(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA (CHEBI:15449) is conjugate acid of (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA(4−) (CHEBI:57312)
Incoming Relation(s)
(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA(4−) (CHEBI:57312) is conjugate base of (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA (CHEBI:15449)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S,3S)-3-hydroxy-2-methylbutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(2S,3S)-3-Hydroxy-2-methylbutanoyl-CoAKEGG COMPOUND
(S)-3-Hydroxy-2-methylbutyryl-CoAKEGG COMPOUND
(2S,3S)-3-hydroxy-2-methylbutanoyl-coenzyme AChEBI
(S,S)-3-hydroxy-2-methylbutanoyl-coenzyme AChEBI
(S,S)-3-hydroxy-2-methylbutyryl-coenzyme AChEBI
Manual XrefsDatabases
C04405KEGG COMPOUND
Citations