Methylmalonic Acid
PubChem CID: 487
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| Compound Synonyms | Methylmalonic acid, 516-05-2, 2-Methylmalonic acid, 2-Methylpropanedioic acid, Isosuccinic acid, methylmalonate, Propanedioic acid, methyl-, 1,1-Ethanedicarboxylic acid, Malonic acid, methyl-, methylpropanedioic acid, METHYL MALONIC ACID, Isosuccinate, methyl-Malonate, CHEBI:30860, 2-Methylmalonate, 2-methyl-propanedioic acid, EINECS 208-219-5, MFCD00002656, NSC 25201, methyl-Malonic acid, methyl-Propanedioate, BRN 1756084, AI3-19472, 8LL8S712J7, alpha-methylmalonic acid, methyl-Propanedioic acid, 1,1-Ethanedicarboxylate, NSC-25201, DTXSID00199549, 4-02-00-01932 (Beilstein Handbook Reference), Methylpropanedioic acid, Methylmalonate, PROPANEDIOIC ACID, 2-METHYL-, methylpropanedioate, 1215348-94-9, SMR000857347, Acid, Methylmalonic, UNII-8LL8S712J7, 2-Methylmalonicacid, 2-methyl-malonic acid, Methylmalonic acid, 99%, bmse000398, WLN: QV1VO1, SCHEMBL27766, MLS001335865, MLS001335866, Methylmalonic acid (Standard), GTPL9633, CHEMBL1232416, DTXCID10122040, Propanedioic acid, methyl-(9CI), HMS2230A22, HMS3869I13, Propanedioic acid, methyl- (9CI), BCP22931, NSC25201, STR03479, AC1639, BBL027393, BDBM50038341, LMFA01170118, s3683, STL373471, AKOS009157181, CCG-266070, DB04183, FM25870, HY-103395R, NCGC00247049-01, SY006109, HY-103395, CS-0027817, M0568, NS00015152, EN300-53151, C02170, Q239598, 2-Methylmalonic acid 100 microg/mL in Acetonitrile, Z787653408, 166A2535-D607-4D47-956D-8FC6A1EA3B08, 2-Methylpropanedioic acid, Methylpropanedioic acid, 1,1-Ethanedicarboxylic acid, 208-219-5 |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 8.0 |
| Pathway Kegg Map Id | map00640, map00280 |
| Description | A malonic acid derivative which is a vital intermediate in the metabolism of fat and protein. Abnormalities in methylmalonic acid metabolism lead to methylmalonic aciduria. This metabolic disease is attributed to a block in the enzymatic conversion of methylmalonyl CoA to succinyl CoA. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q06278, P49189, P49419, P47895, P05091, P51648, P30837, P00811, O75164, Q99816, Q96KQ7, O95149, O75496, Q13526, P63092, Q9QZX7 |
| Iupac Name | 2-methylpropanedioic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | 0.1 |
| Superclass | Organic acids and derivatives |
| Subclass | Dicarboxylic acids and derivatives |
| Molecular Formula | C4H6O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZIYVHBGGAOATLY-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | 0.633 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 2.315 |
| Synonyms | 1,1-Ethanedicarboxylate, 1,1-Ethanedicarboxylic acid, 2-Methylmalonate, 2-Methylmalonic acid, a-Methylmalonate, a-Methylmalonic acid, alpha-Methylmalonate, alpha-Methylmalonic acid, Isosuccinate, Isosuccinic acid, methyl-Malonate, methyl-Malonic acid, methyl-Propanedioate, methyl-Propanedioic acid, Methylmalonate, Methylmalonic acid, Methylpropanedioate, Methylpropanedioic acid, α-methylmalonate, α-methylmalonic acid, Α-methylmalonate, Α-methylmalonic acid, Methyl-malonate, Methyl-malonic acid, Methyl-propanedioate, Methyl-propanedioic acid, Acid, methylmalonic |
| Substituent Name | 1,3-dicarbonyl compound, Dicarboxylic acid or derivatives, Carboxylic acid, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Compound Name | Methylmalonic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 118.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 118.027 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 118.09 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -0.47794559999999986 |
| Inchi | InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) |
| Smiles | CC(C(=O)O)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dicarboxylic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all