| Compound-ID | 2017 |
| Common Name | Caffeoyl-CoA |
| InChI |
InChI=1S/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,11,14-15,19,23-25,29,38-39,42-43H,7-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/t19-,23-,24-,25+,29-/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)C=Cc4ccc(O)c(O)c4
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| External Links | |
| KEGG-COMPOUND-ID |
C00323
|
| PUBCHEM-ID | 3617 |
| ChEBI-ID |
15518
87449 87136 57372 3296 22983 13930 |
| METACYC-ID | CAFFEOYL-COA |
| METANETX-ID | MNXM443 |
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View all entries for compound: Caffeoyl-CoA |