Compound Details

 Compound-ID 8540
 Common Name S-1,5-Cyclohexadiene-1-carboxylate coenzymeA
 Synonyms Cyclohexa-1,5-diene-1-carbonyl-CoA
Cyclohexa-1,5-dienecarbonyl-CoA
 InChI InChI=1S/C28H42N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h4,6-7,14-15,17,20-22,26,37-38H,3,5,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/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=4C=CCCC=4
 External Links
 KEGG-COMPOUND-ID C06322
 PUBCHEM-ID 8558
 ChEBI-ID 15520
8938
57374
23460
22023
14049
14048
 METACYC-ID CYCLOHEXA-15-DIENE-1-CARBONYL-COA
 METANETX-ID MNXM1657


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