| Compound-ID | 2067 |
| Common Name | Benzoyl-CoA |
| Synonyms |
S-benzoate Coenzyme A
|
| InChI |
InChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1
|
| SMILES |
CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1(OP(O)(O)=O))n3cnc2c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCSC(=O)c4ccccc4
|
| External Links | |
| KEGG-COMPOUND-ID |
C00512
|
| PUBCHEM-ID | 3795 |
| ChEBI-ID |
15515
8952 57369 22735 13883 13882 |
| REACTOME-ID | 159447 |
| METACYC-ID | BENZOYLCOA |
| METANETX-ID | MNXM732896 |
|
View all entries for compound: Benzoyl-CoA |