| Compound-ID | 31695 |
| Common Name | Crotonobetainyl-CoA |
| Synonyms |
(E)-4-(Trimethylammonio)but-2-enoyl-CoA
|
| InChI |
InChI=1S/C28H47N8O17P3S/c1-28(2,23(40)26(41)31-9-8-18(37)30-10-12-57-19(38)7-6-11-36(3,4)5)14-50-56(47,48)53-55(45,46)49-13-17-22(52-54(42,43)44)21(39)27(51-17)35-16-34-20-24(29)32-15-33-25(20)35/h6-7,15-17,21-23,27,39-40H,8-14H2,1-5H3,(H7-,29,30,31,32,33,37,41,42,43,44,45,46,47,48)/p+1/b7-6+/t17-,21-,22-,23+,27-/m1/s1
|
| SMILES |
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\C[N+](C)(C)C
|
| External Links | |
| KEGG-COMPOUND-ID |
C20748
|
| PUBCHEM-CID | 49852337 |
| ChEBI-ID |
61123
|
| CHEMSPIDER-ID | 26332126 |
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View all entries for compound: Crotonobetainyl-CoA |