| Compound-ID | 6566 |
| Common Name | 2-Methylacetoacetyl-CoA |
| Synonyms |
2-Methyl-3-acetoacetyl-CoA
|
| InChI |
InChI=1S/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t13?,15-,18-,19-,20+,24-/m1/s1
|
| SMILES |
CC(=O)C(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 |
C03344
|
| PUBCHEM-ID | 6187 |
| ChEBI-ID |
15476
57335 19687 1195 11613 |
| REACTOME-ID | 70836 |
| METACYC-ID | 2-METHYL-ACETO-ACETYL-COA |
| METANETX-ID | MNXM737650 |
| BioModels |
15476 |
|
View all entries for compound: 2-Methylacetoacetyl-CoA |