Showing Metabocard for N-formimidoyl-L-glutamate (BASm0003807)
| Common Name | N-formimidoyl-l-glutamate | ||||||
|---|---|---|---|---|---|---|---|
| Description | Measurement of this acid in the urine after oral administration of histidine provides the basis for the diagnostic test of folic acid deficiency and of megaloblastic anemia of pregnancy. | ||||||
| Structure | |||||||
| Molecular Formula | C6H10N2O4 | ||||||
| Average Mass | 174.15460 | ||||||
| Monoisotopic Mass | 174.06406 | ||||||
| IUPAC Name | (2S)-2-methanimidamidopentanedioic acid | ||||||
| Traditional Name | N-formimino-l-glutamate | ||||||
| CAS Registry Number | 816-90-0 | ||||||
| SMILES | [NH2+]=CN[C@@H](CCC(=O)[O-])C(=O)[O-] | ||||||
| InChI Identifier | InChI=1S/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 | ||||||
| InChI Key | NRXIKWMTVXPVEF-BYPYZUCNSA-N | ||||||
| CHEBI ID | CHEBI:58928 | ||||||
| HMDB ID | HMDB0000854 | ||||||
| Pathways |
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| State | Solid | ||||||
| Water Solubility | 2.28e+00 g/l | ||||||
| logP | -1.33 | ||||||
| logS | -1.88 | ||||||
| pKa (Strongest Acidic) | 2.49 | ||||||
| pKa (Strongest Basic) | 10.88 | ||||||
| Hydrogen Acceptor Count | 6 | ||||||
| Hydrogen Donor Count | 4 | ||||||
| Polar Surface Area | 110.48 Ų | ||||||
| Rotatable Bond Count | 5 | ||||||
| Physiological Charge | -1 | ||||||
| Formal Charge | 0 | ||||||
| Refractivity | 48.71 m³·mol⁻¹ | ||||||
| Polarizability | 15.61 |