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CHEBI:142871 - 4-nitrobenzoyl-CoA(4−)

ChEBI IDCHEBI:142871
ChEBI Name4-nitrobenzoyl-CoA(4−)
Stars
ASCII Name4-nitrobenzoyl-CoA(4-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC28H35N8O19P3S
Net Charge-4
Average Mass912.614
Monoisotopic Mass912.09740
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)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C28H39N8O19P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-59-27(41)15-3-5-16(6-4-15)36(42)43)12-52-58(49,50)55-57(47,48)51-11-17-21(54-56(44,45)46)20(38)26(53-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/p-4/t17-,20-,21-,22+,26-/m1/s1
InChIKeyMQPUEXKBWYQBOT-TYHXJLICSA-J
ChEBI Ontology
Outgoing Relation(s)
4-nitrobenzoyl-CoA(4−) (CHEBI:142871) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
4-nitrobenzoyl-CoAUniProt
Manual XrefsDatabases
CPD-21840MetaCyc
Citations