Methoxymaleic acid
PubChem CID: 5366084
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| Compound Synonyms | Methoxymaleic acid, 2-Methoxymaleic acid, Methoxymalic acid, SCHEMBL542266, SCHEMBL542268, AHJCDQGRYVBQQZ-NSCUHMNNSA-N, (2E)-2-Methoxy-2-butenedioic acid, (E)-2-methoxy-but-2-enedioic acid, AKOS006374592, (2E)-2-Methoxy-2-butenedioic acid # |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Description | Methoxymalic acid, also known as methoxymalate, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. Methoxymalic acid is soluble (in water) and an extremely strong acidic compound (based on its pKa). Methoxymalic acid can be found in oat, which makes methoxymalic acid a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-2-methoxybut-2-enedioic acid |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | -0.3 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Dicarboxylic acids and derivatives |
| Molecular Formula | C5H6O5 |
| Inchi Key | AHJCDQGRYVBQQZ-NSCUHMNNSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | (2E)-2-Methoxybut-2-enedioate, Methoxymalate |
| Compound Name | Methoxymaleic acid |
| Kingdom | Organic compounds |
| Exact Mass | 146.022 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 146.022 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 146.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C5H6O5/c1-10-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+ |
| Smiles | CO/C(=C/C(=O)O)/C(=O)O |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Dicarboxylic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:fooddb_chem_all