CHEBI:28522 - 4-hydroxybutyryl-CoA

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ChEBI Name 4-hydroxybutyryl-CoA ChEBI ID CHEBI:28522 Definition An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-hydroxybutyric acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1861, CHEBI:20403 Supplier Information ChemicalBook:CB2408147, eMolecules:478564, ZINC000001532749 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/c1-25(2,20(37)23(38)28-6-5-15(34)27-7-9-54-16(35)4-3-8-33)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,33,36-37H,3-11H2,1-2H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1 InChIKey BAMBWCGEVIAQBF-CITAKDKDSA-N SMILES CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCO Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) View more via ChEBI Ontology ChEBI Ontology Outgoing 4-hydroxybutyryl-CoA (CHEBI:28522) has functional parent 4-hydroxybutyric acid (CHEBI:30830) 4-hydroxybutyryl-CoA (CHEBI:28522) is a hydroxyacyl-CoA (CHEBI:62618) 4-hydroxybutyryl-CoA (CHEBI:28522) is conjugate acid of 4-hydroxybutyryl-CoA(4−) (CHEBI:58574) Incoming 4-hydroxybutyryl-CoA(4−) (CHEBI:58574) is conjugate base of 4-hydroxybutyryl-CoA (CHEBI:28522) IUPAC Names 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(4-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]dihydrogen diphosphate} 4-hydroxybutanoyl-coenzyme A Synonyms Sources 4-hydroxybutanoyl-CoA ChEBI 4-Hydroxybutanoyl-CoA KEGG COMPOUND 4-hydroxybutanoyl-coenzyme A ChEBI 4-Hydroxybutyryl-CoA KEGG COMPOUND 4-hydroxybutyryl-coenzyme A ChEBI γ-hydroxybutanoyl-CoA ChEBI γ-hydroxybutyryl-CoA ChEBI γ-hydroxybutyryl-coenzyme A ChEBI Manual Xref Database C11062 KEGG COMPOUND View more database links Registry Number Type Source 10514896 Reaxys Registry Number Reaxys Citations Types Sources 11041350 PubMed citation Europe PMC 1768145 PubMed citation Europe PMC 8344309 PubMed citation Europe PMC Last Modified 04 August 2014