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 eMolecules:36095718 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 Last Modified 04 August 2014