Compound Details

 Compound-ID 2125
 Common Name 2-Methylpropanoyl-CoA
 Synonyms 2-Methylpropionyl-CoA
Isobutyryl-CoA
 InChI InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1
 SMILES CC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1(OP(O)(O)=O))n3cnc2c(N)ncnc23
 External Links
 KEGG-COMPOUND-ID C00630
 PUBCHEM-ID 3903
 ChEBI-ID 15479
57338
41634
19712
12754
1214
11629
 REACTOME-ID 70851
 METACYC-ID ISOBUTYRYL-COA
 METANETX-ID MNXM736714
 BioModels 15479


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