CHEBI:28259 - (S)-3-hydroxyisobutyryl-CoA

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ChEBI Name (S)-3-hydroxyisobutyryl-CoA ChEBI ID CHEBI:28259 ChEBI ASCII Name (S)-3-hydroxyisobutyryl-CoA Definition A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxyisobutyric acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:399, CHEBI:18753 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 C25H42N7O18P3S Net Charge 0 Average Mass 853.625 Monoisotopic Mass 853.15199 InChI InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,17+,18+,19-,23+/m0/s1 InChIKey WWEOGFZEFHPUAM-UQCJFRAESA-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(=O)[C@H](CO)C)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Homo sapiens (NCBI:txid9606) See: DOI Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing (S)-3-hydroxyisobutyryl-CoA (CHEBI:28259) has functional parent (S)-3-hydroxyisobutyric acid (CHEBI:37373) (S)-3-hydroxyisobutyryl-CoA (CHEBI:28259) has functional parent isobutyryl-CoA (CHEBI:15479) (S)-3-hydroxyisobutyryl-CoA (CHEBI:28259) has role human metabolite (CHEBI:77746) (S)-3-hydroxyisobutyryl-CoA (CHEBI:28259) has role mouse metabolite (CHEBI:75771) (S)-3-hydroxyisobutyryl-CoA (CHEBI:28259) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060) (S)-3-hydroxyisobutyryl-CoA (CHEBI:28259) is a hydroxy fatty acyl-CoA (CHEBI:61902) (S)-3-hydroxyisobutyryl-CoA (CHEBI:28259) is conjugate acid of (S)-3-hydroxyisobutyryl-CoA(4−) (CHEBI:62611) Incoming (S)-3-hydroxyisobutyryl-CoA(4−) (CHEBI:62611) is conjugate base of (S)-3-hydroxyisobutyryl-CoA (CHEBI:28259) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S)-3-hydroxy-2-methylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (S)-3-hydroxy-2-methylpropanoyl-coenzyme A ChEBI (S)-3-hydroxy-2-methylpropionyl-coenzyme A ChEBI (S)-3-hydroxyisobutanoyl-CoA ChEBI (S)-3-hydroxyisobutanoyl-coenzyme A ChEBI (S)-3-Hydroxyisobutyryl-CoA KEGG COMPOUND (S)-3-hydroxyisobutyryl-coenzyme A ChEBI Manual Xrefs Databases C06000 KEGG COMPOUND HMDB0001052 HMDB View more database links Citation Type Source 17160907 PubMed citation Europe PMC Last Modified 27 January 2017