Showing Metabocard for (E)-1-(glutathione-S-yl)-2-(1H-indol-3-yl)acetohydroximate (BASm0008705)
| Common Name | (e)-1-(glutathione-s-yl)-2-(1h-indol-3-yl)acetohydroximate |
|---|---|
| Description | 4-Amino-4-carboxy-N-{1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(1Z)-1-(hydroxyimino)-2-(1H-indol-3-yl)ethyl]sulfanyl}ethyl}butanecarboximidate is considered to be a practically insoluble (in water) and relatively neutral molecule. Indole-3-acetohydroximoyl-glutathione has the chemical formula C20H24N5O7S, and an average molecular weight of 478.5. Indole-3-acetohydroximoyl-glutathione is involved in the Tryptophan Metabolism Pathway. |
| Structure | |
| Molecular Formula | C20H24N5O7S |
| Average Mass | 478.50000 |
| Monoisotopic Mass | 478.14019 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | [NH3+][C@@H](CCC(=O)N[C@@H](CS/C(Cc1c[nH]c2ccccc12)=N/O)C(=O)NCC(=O)[O-])C(=O)[O-] |
| InChI Identifier | InChI=1S/C20H25N5O7S/c21-13(20(30)31)5-6-16(26)24-15(19(29)23-9-18(27)28)10-33-17(25-32)7-11-8-22-14-4-2-1-3-12(11)14/h1-4,8,13,15,22,32H,5-7,9-10,21H2,(H,23,29)(H,24,26)(H,27,28)(H,30,31)/p-1/b25-17- |
| InChI Key | RAKAOQJZHXOSHL-UQQQWYQISA-M |
| CHEBI ID | CHEBI:136444 |
| 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 |