Compound Details

 Compound-ID 7041
 Common Name 3-Hydroxy-2-methylpropanoyl-CoA
 Synonyms 3-Hydroxy-2-methylpropionyl-CoA
3-Hydroxyisobutyryl-CoA
 InChI InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,17-,18-,19+,23-/m1/s1
 SMILES CC(CO)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 C04047
C06000
 PUBCHEM-ID 6748
 ChEBI-ID 15481
62611
399
28259
18753
 REACTOME-ID 71847
 METACYC-ID CPD-12173
 METANETX-ID MNXM726147
 BioModels 15481
28259


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