Showing Metabocard for (R)-3-(indol-3-yl)lactoyl-CoA (BASm0010132)
| Common Name | (r)-3-(indol-3-yl)lactoyl-coa |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C32H41N8O18P3S |
| Average Mass | 950.70000 |
| Monoisotopic Mass | 950.14943 |
| 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@H](O)Cc1c[nH]c2ccccc12 |
| InChI Identifier | InChI=1S/C32H45N8O18P3S/c1-32(2,26(44)29(45)35-8-7-22(42)34-9-10-62-31(46)20(41)11-17-12-36-19-6-4-3-5-18(17)19)14-55-61(52,53)58-60(50,51)54-13-21-25(57-59(47,48)49)24(43)30(56-21)40-16-39-23-27(33)37-15-38-28(23)40/h3-6,12,15-16,20-21,24-26,30,36,41,43-44H,7-11,13-14H2,1-2H3,(H,34,42)(H,35,45)(H,50,51)(H,52,53)(H2,33,37,38)(H2,47,48,49)/p-4/t20-,21-,24-,25-,26+,30-/m1/s1 |
| InChI Key | MPWARWLZAPSVRG-MCIGHZANSA-J |
| CHEBI ID | CHEBI:143008 |
| MiMeDB ID | MMDBc0055033 |
| 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 |