Showing Metabocard for (E)-3-(indol-3-yl)acryloyl-CoA (BASm0010133)
| Common Name | (e)-3-(indol-3-yl)acryloyl-coa |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C32H39N8O17P3S |
| Average Mass | 932.69000 |
| Monoisotopic Mass | 932.13887 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/c1c[nH]c2ccccc12 |
| InChI Identifier | InChI=1S/C32H43N8O17P3S/c1-32(2,27(44)30(45)35-10-9-22(41)34-11-12-61-23(42)8-7-18-13-36-20-6-4-3-5-19(18)20)15-54-60(51,52)57-59(49,50)53-14-21-26(56-58(46,47)48)25(43)31(55-21)40-17-39-24-28(33)37-16-38-29(24)40/h3-8,13,16-17,21,25-27,31,36,43-44H,9-12,14-15H2,1-2H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,37,38)(H2,46,47,48)/p-4/b8-7+/t21-,25-,26-,27+,31-/m1/s1 |
| InChI Key | LQFMEOXXQRDBPP-BTOWARJYSA-J |
| CHEBI ID | CHEBI:143009 |
| MiMeDB ID | MMDBc0055013 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |