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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA
ChEBI ID CHEBI:15449
ChEBI ASCII Name (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA
Definition An (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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10871, CHEBI:191, CHEBI:18552, CHEBI:18553
Supplier Information
Download Molfile XML SDF
Formula C26H44N7O18P3S
Net Charge 0
Average Mass 867.65122
Monoisotopic Mass 867.168
InChI InChI=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
InChIKey PEKYNTFSOBAABV-LQUDNSJZSA-N
SMILES C[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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
(2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA KEGG COMPOUND
(2S,3S)-3-hydroxy-2-methylbutanoyl-coenzyme A ChEBI
(S)-3-Hydroxy-2-methylbutyryl-CoA KEGG COMPOUND
(S,S)-3-hydroxy-2-methylbutanoyl-coenzyme A ChEBI
(S,S)-3-hydroxy-2-methylbutyryl-coenzyme A ChEBI
Manual Xref Database
C04405 KEGG COMPOUND
View more database links
Last Modified
27 January 2016