Compound Details

 Compound-ID 2652
 Common Name 3-Methylcrotonyl-CoA
 Synonyms 3-Methylbut-2-enoyl-CoA
3-Methylcrotonoyl-CoA
 InChI InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1
 SMILES CC(C)=CC(=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 C03069
 PUBCHEM-ID 5969
 ChEBI-ID 15486
57344
4615
23802
20128
1599
11858
11853
 REACTOME-ID 70744
 METACYC-ID 3-METHYL-CROTONYL-COA
 METANETX-ID MNXM735250
 BioModels 15486


View all entries for compound: 3-Methylcrotonyl-CoA




© HITS gGmbH