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

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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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H44N7O18P3S Net Charge 0 Average Mass 867.65122 Monoisotopic Mass 867.16764 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 Citation Type Source 23351063 PubMed citation Europe PMC Last Modified 21 November 2019