Showing Metabocard for 6-carboxy-5,6,7,8-tetrahydropterin (BASm0004048)
| Common Name | 6-carboxy-5,6,7,8-tetrahydropterin |
|---|---|
| Description | 6-carboxy-5,6,7,8-tetrahydropterin is a member of the chemical class known as Alpha Amino Acids and Derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).6-carboxy-5,6,7,8-tetrahydropterin is catalyzed by QueD. Escherichia coli QueD is a 6-carboxy-5,6,7,8-tetrahydropterin synthase. (PMID 19231875 ) |
| Structure | |
| Molecular Formula | C7H9N5O3 |
| Average Mass | 211.17810 |
| Monoisotopic Mass | 211.07054 |
| IUPAC Name | 4-hydroxy-2-imino-1,2,5,6,7,8-hexahydropteridine-6-carboxylic acid |
| Traditional Name | 4-hydroxy-2-imino-5,6,7,8-tetrahydro-1h-pteridine-6-carboxylic acid |
| CAS Registry Number | Not Available |
| SMILES | Nc1nc2c(c(=O)[nH]1)NC(C(=O)[O-])CN2 |
| InChI Identifier | InChI=1S/C7H9N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h2,10H,1H2,(H,14,15)(H4,8,9,11,12,13) |
| InChI Key | QSIYONWVWDSRRO-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:61032 |
| State | Not Available |
| Water Solubility | 2.75e+00 g/l |
| logP | -1.29 |
| logS | -1.89 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 8 |
| Hydrogen Donor Count | 6 |
| Polar Surface Area | 129.83 Ų |
| Rotatable Bond Count | 1 |
| Physiological Charge | Not Available |
| Formal Charge | 0 |
| Refractivity | 68.93 m³·mol⁻¹ |
| Polarizability | 18.91 |