2-Amino-4-oxalooxybutanoic acid
PubChem CID: 75144733
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| Topological Polar Surface Area | 127.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | VKKDEHWBBKSWQQ-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| Synonyms | O-Oxalylhomoserine |
| Heavy Atom Count | 13.0 |
| Compound Name | 2-Amino-4-oxalooxybutanoic acid |
| Description | O-oxalylhomoserine is a member of the class of compounds known as alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). O-oxalylhomoserine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). O-oxalylhomoserine can be found in grass pea, which makes O-oxalylhomoserine a potential biomarker for the consumption of this food product. |
| Exact Mass | 191.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 191.043 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 225.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 191.14 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-4-oxalooxybutanoic acid |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C6H9NO6/c7-3(4(8)9)1-2-13-6(12)5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11) |
| Smiles | C(COC(=O)C(=O)O)C(C(=O)O)N |
| Xlogp | -3.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C6H9NO6 |
- 1. Outgoing r'ship
FOUND_INto/from Lathyrus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all