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CHEBI:747813 - 2-(imidazol-4-yl)acetyl-CoA(4-)

Default Structure
ChEBI IDCHEBI:747813
ChEBI Name2-(imidazol-4-yl)acetyl-CoA(4-)
Stars
Last Modified29 May 2026
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC26H36N9O17P3S
Net Charge-4
Average Mass871.609
Monoisotopic Mass871.11847
SMILESCC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)Cc1cncn1
InChIInChI=1S/C26H40N9O17P3S/c1-26(2,21(39)24(40)30-4-3-16(36)29-5-6-56-17(37)7-14-8-28-11-31-14)10-49-55(46,47)52-54(44,45)48-9-15-20(51-53(41,42)43)19(38)25(50-15)35-13-34-18-22(27)32-12-33-23(18)35/h8,11-13,15,19-21,25,38-39H,3-7,9-10H2,1-2H3,(H,28,31)(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,27,32,33)(H2,41,42,43)/p-4/t15-,19-,20-,21+,25-/m1/s1
InChIKeyPONFFKHSSHJYEK-ZMHDXICWSA-J
ChEBI Ontology
Outgoing Relation(s)
2-(imidazol-4-yl)acetyl-CoA(4-) (CHEBI:747813) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
2-(imidazol-4-yl)acetyl-CoAUniProt
Citations