CHEBI:37050 - 3-hydroxybutanoyl-CoA

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ChEBI Name 3-hydroxybutanoyl-CoA ChEBI ID CHEBI:37050 Definition A hydroxybutanoyl-CoA having 3-hydroxybutanoyl as the S-acyl component. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:20068, CHEBI:1541 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 853.62464 Monoisotopic Mass 853.15199 InChI InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,18-,19-,20+,24-/m1/s1 InChIKey QHHKKMYHDBRONY-RMNRSTNRSA-N SMILES CC(O)CC(=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 3-hydroxybutanoyl-CoA (CHEBI:37050) has functional parent 3-hydroxybutyric acid (CHEBI:20067) 3-hydroxybutanoyl-CoA (CHEBI:37050) has functional parent butyryl-CoA (CHEBI:15517) 3-hydroxybutanoyl-CoA (CHEBI:37050) has role mouse metabolite (CHEBI:75771) 3-hydroxybutanoyl-CoA (CHEBI:37050) is a 3-hydroxyacyl-CoA (CHEBI:65260) 3-hydroxybutanoyl-CoA (CHEBI:37050) is a hydroxybutanoyl-CoA (CHEBI:24685) 3-hydroxybutanoyl-CoA (CHEBI:37050) is conjugate acid of 3-hydroxybutanoyl-CoA(4−) (CHEBI:78611) Incoming (R)-3-hydroxybutanoyl-CoA (CHEBI:15452) is a 3-hydroxybutanoyl-CoA (CHEBI:37050) (S)-3-hydroxybutanoyl-CoA (CHEBI:15453) is a 3-hydroxybutanoyl-CoA (CHEBI:37050) 3-hydroxybutanoyl-CoA(4−) (CHEBI:78611) is conjugate base of 3-hydroxybutanoyl-CoA (CHEBI:37050) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources 3-Hydroxybutanoyl-CoA KEGG COMPOUND 3-Hydroxybutyryl-coa ChemIDplus 3-Hydroxybutyryl-coenzyme A ChemIDplus beta-Hydroxybutyryl-coa ChemIDplus beta-Hydroxybutyryl-coenzyme A ChemIDplus Coenzyme A, S-(3-hydroxybutanoate) ChEBI S-(3-hydroxybutanoyl)-CoA ChEBI S-(3-hydroxybutanoyl)-coenzyme A ChEBI S-(3-hydroxybutyryl)-CoA ChEBI S-(3-hydroxybutyryl)-coenzyme A ChEBI Manual Xrefs Databases C05116 KEGG COMPOUND DB03612 DrugBank View more database links Registry Number Type Source 2871-66-1 CAS Registry Number ChemIDplus Citation Type Source 21549853 PubMed citation Europe PMC Last Modified 27 January 2016