Guanidino succinic acid
PubChem CID: 19361066
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| Compound Synonyms | Guanidino succinic acid |
|---|---|
| Topological Polar Surface Area | 145.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Description | Guanidino succinic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Guanidino succinic acid can be found in apple and loquat, which makes guanidino succinic acid a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 210.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(diaminomethylideneamino)butanedioate |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | -0.7 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C5H7N3O4-2 |
| Inchi Key | VVHOUVWJCQOYGG-UHFFFAOYSA-L |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-Carbamimidamidobutanedioic acid, Guanidino succinate |
| Compound Name | Guanidino succinic acid |
| Kingdom | Organic compounds |
| Exact Mass | 173.044 |
| Formal Charge | -2.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 173.044 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 173.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)/p-2 |
| Smiles | C(C(C(=O)[O-])N=C(N)N)C(=O)[O-] |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Aspartic acid and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Eriobotrya Japonica (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Malus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all