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CHEBI:188490 - 2-methoxybenzoyl-CoA(4−)

ChEBI IDCHEBI:188490
ChEBI Name2-methoxybenzoyl-CoA(4−)
Stars
ASCII Name2-methoxybenzoyl-CoA(4-)
DefinitionTetraanion of 2-methoxybenzoyl-CoA arising from deprotonation of phosphate and diphosphate functions; major microspecies at pH 7.3.
Last Modified14 March 2025
SubmitterAnne Morgat
DownloadsMolfile
FormulaC29H38N7O18P3S
Net Charge-4
Average Mass897.643
Monoisotopic Mass897.12288
SMILESCOc1ccccc1C(=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/C29H42N7O18P3S/c1-29(2,23(39)26(40)32-9-8-19(37)31-10-11-58-28(41)16-6-4-5-7-17(16)49-3)13-51-57(47,48)54-56(45,46)50-12-18-22(53-55(42,43)44)21(38)27(52-18)36-15-35-20-24(30)33-14-34-25(20)36/h4-7,14-15,18,21-23,27,38-39H,8-13H2,1-3H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t18-,21-,22-,23+,27-/m1/s1
InChIKeyXFIDDJIBDPQXNT-SXQYHYLKSA-J
ChEBI Ontology
Outgoing Relation(s)
2-methoxybenzoyl-CoA(4−) (CHEBI:188490) has functional parent O-methylsalicylate (CHEBI:59128)
2-methoxybenzoyl-CoA(4−) (CHEBI:188490) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
2-methoxybenzoyl-CoAUniProt