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CHEBI:28684 - 4-acetamidobutanoyl-CoA

ChEBI IDCHEBI:28684
ChEBI Name4-acetamidobutanoyl-CoA
Stars
DefinitionAn acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-acetamidobutanoic acid.
Secondary ChEBI IDsCHEBI:1778, CHEBI:11952, CHEBI:20304
Last Modified3 August 2014
DownloadsMolfile
FormulaC27H45N8O18P3S
Net Charge0
Average Mass894.684
Monoisotopic Mass894.17854
SMILESCC(=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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=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
InChIKeyUEKGDRAHBCQADD-HDRQGHTBSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
4-Acetamidobutanoyl-CoAKEGG COMPOUND
4-acetamidobutanoyl-coenzyme AChEBI
4-acetamidobutyryl-CoAChEBI
4-acetamidobutyryl-coenzyme AChEBI
Manual XrefsDatabases
C03357KEGG COMPOUND
C03357KEGG COMPOUND
Citations