Compound Details

 Compound-ID 6193
 Common Name Glutaconyl-1-CoA
 Synonyms 4-Carboxybut-2-enoyl-CoA
 InChI InChI=1S/C26H40N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h3,5,12-14,19-21,25,38-39H,4,6-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b5-3+/t14-,19-,20-,21+,25-/m1/s1
 SMILES CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1(OP(O)(O)=O))n3cnc2c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCSC(=O)C=CCC(O)=O
 External Links
 KEGG-COMPOUND-ID C02411
 PUBCHEM-ID 5444
 ChEBI-ID 15497
57353
5430
24310
14320
11969
 METACYC-ID GLUTACONYL-COA
 METANETX-ID MNXM981
 BioModels 15497


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