CHEBI:28684 - 4-acetamidobutanoyl-CoA

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ChEBI Name 4-acetamidobutanoyl-CoA ChEBI ID CHEBI:28684 Definition An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-acetamidobutanoic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1778, CHEBI:11952, CHEBI:20304 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 C27H45N8O18P3S Net Charge 0 Average Mass 894.67660 Monoisotopic Mass 894.17854 InChI InChI=1S/C27H45N8O18P3S/c1-15(36)29-7-4-5-18(38)57-10-9-30-17(37)6-8-31-25(41)22(40)27(2,3)12-50-56(47,48)53-55(45,46)49-11-16-21(52-54(42,43)44)20(39)26(51-16)35-14-34-19-23(28)32-13-33-24(19)35/h13-14,16,20-22,26,39-40H,4-12H2,1-3H3,(H,29,36)(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,28,32,33)(H2,42,43,44)/t16-,20-,21-,22+,26-/m1/s1 InChIKey UEKGDRAHBCQADD-HDRQGHTBSA-N SMILES CC(=O)NCCCC(=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 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-acetamidobutanoyl-CoA (CHEBI:28684) has functional parent butyryl-CoA (CHEBI:15517) 4-acetamidobutanoyl-CoA (CHEBI:28684) is a acyl-CoA (CHEBI:17984) 4-acetamidobutanoyl-CoA (CHEBI:28684) is conjugate acid of 4-acetamidobutanoyl-CoA(4−) (CHEBI:58583) Incoming 4-acetamidobutanoyl-CoA(4−) (CHEBI:58583) is conjugate base of 4-acetamidobutanoyl-CoA (CHEBI:28684) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-acetamidobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources 4-Acetamidobutanoyl-CoA KEGG COMPOUND 4-acetamidobutanoyl-coenzyme A ChEBI 4-acetamidobutyryl-CoA ChEBI 4-acetamidobutyryl-coenzyme A ChEBI Manual Xref Database C03357 KEGG COMPOUND View more database links Citation Type Source 6788773 PubMed citation Europe PMC Last Modified 04 August 2014