Showing Metabocard for allantoate (BASm0000994)
| Common Name | Allantoate |
|---|---|
| Description | Allantoic acid is the end product of Allantoicase [EC:3.5.3.4], an enzyme involved in uric acid degradation (Purine metabolism). Although it is commonly accepted that allantoicase is lost in mammals, it has been identified in mice and humans. (PMID 11852104 ). A crystalline, transparent, colorless substance found in the allantoic liquid of the fetal calf. It was formerly called allantoic acid and amniotic acid. |
| Structure | |
| Molecular Formula | C4H8N4O4 |
| Average Mass | 176.13070 |
| Monoisotopic Mass | 176.05455 |
| IUPAC Name | 2,2-bis(carbamoylamino)acetic acid |
| Traditional Name | Allantoic acid |
| CAS Registry Number | 99-16-1 |
| SMILES | NC(=O)NC(NC(N)=O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) |
| InChI Key | NUCLJNSWZCHRKL-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:17536 |
| HMDB ID | HMDB0001209 |
| State | Solid |
| Water Solubility | 6.70e+00 g/l |
| logP | -2.12 |
| logS | -1.42 |
| pKa (Strongest Acidic) | 3.24 |
| pKa (Strongest Basic) | -3.11 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 5 |
| Polar Surface Area | 147.54 Ų |
| Rotatable Bond Count | 3 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 35.10 m³·mol⁻¹ |
| Polarizability | 14.60 |