Showing Metabocard for (2-aminobenzyl)malonyl-CoA (BASm0011902)
| Common Name | (2-aminobenzyl)malonyl-coa |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | Not Available |
| Average Mass | Not Available |
| Monoisotopic Mass | Not Available |
| 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(Cc1ccccc1N)C(=O)[O-] |
| InChI Identifier | InChI=1S/C31H45N8O19P3S/c1-31(2,24(42)27(43)35-8-7-20(40)34-9-10-62-30(46)17(29(44)45)11-16-5-3-4-6-18(16)32)13-55-61(52,53)58-60(50,51)54-12-19-23(57-59(47,48)49)22(41)28(56-19)39-15-38-21-25(33)36-14-37-26(21)39/h3-6,14-15,17,19,22-24,28,41-42H,7-13,32H2,1-2H3,(H,34,40)(H,35,43)(H,44,45)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-5/t17?,19-,22-,23-,24+,28-/m1/s1 |
| InChI Key | XWMYAGMMKIDKPJ-DTKOOQATSA-I |
| CHEBI ID | CHEBI:188442 |
| State | Not Available |
| 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 |