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CHEBI:143791 - isophthalyl-CoA(5−)

ChEBI IDCHEBI:143791
ChEBI Nameisophthalyl-CoA(5−)
Stars
ASCII Nameisophthalyl-CoA(5-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC29H35N7O19P3S
Net Charge-5
Average Mass910.618
Monoisotopic Mass910.09487
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)c1cccc(C(=O)[O-])c1
InChIInChI=1S/C29H40N7O19P3S/c1-29(2,22(39)25(40)32-7-6-18(37)31-8-9-59-28(43)16-5-3-4-15(10-16)27(41)42)12-52-58(49,50)55-57(47,48)51-11-17-21(54-56(44,45)46)20(38)26(53-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-5,10,13-14,17,20-22,26,38-39H,6-9,11-12H2,1-2H3,(H,31,37)(H,32,40)(H,41,42)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/p-5/t17-,20-,21-,22+,26-/m1/s1
InChIKeyADQGBGKUUIGXEU-TYHXJLICSA-I
ChEBI Ontology
Outgoing Relation(s)
isophthalyl-CoA(5−) (CHEBI:143791) is a acyl-CoA oxoanion (CHEBI:58946)
UniProt Name  Source
isophthalyl-CoAUniProt
Manual XrefsDatabases
CPD-22372MetaCyc
Citations