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CHEBI:58583 - 4-acetamidobutanoyl-CoA(4−)

ChEBI IDCHEBI:58583
ChEBI Name4-acetamidobutanoyl-CoA(4−)
Stars
ASCII Name4-acetamidobutanoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) species arising from deprotonation of the phosphate and diphosphate OH groups of 4-acetamidobutanoyl-CoA; major species at pH 7.3.
Last Modified25 October 2017
DownloadsMolfile
FormulaC27H41N8O18P3S
Net Charge-4
Average Mass890.652
Monoisotopic Mass890.14943
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)/p-4/t16-,20-,21-,22+,26-/m1/s1
InChIKeyUEKGDRAHBCQADD-HDRQGHTBSA-J
ChEBI Ontology
Outgoing Relation(s)
4-acetamidobutanoyl-CoA(4−) (CHEBI:58583) is a acyl-CoA(4−) (CHEBI:58342)
4-acetamidobutanoyl-CoA(4−) (CHEBI:58583) is conjugate base of 4-acetamidobutanoyl-CoA (CHEBI:28684)
Incoming Relation(s)
4-acetamidobutanoyl-CoA (CHEBI:28684) is conjugate acid of 4-acetamidobutanoyl-CoA(4−) (CHEBI:58583)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-acetamidobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
UniProt Name  Source
4-acetamidobutanoyl-CoAUniProt