Malonic acid
PubChem CID: 867
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | malonic acid, propanedioic acid, 141-82-2, Dicarboxymethane, Carboxyacetic acid, Methanedicarboxylic acid, malonate, Kyselina malonova, USAF EK-695, 1,3-Propanedioic acid, Dicarboxylic acid, Kyselina malonova [Czech], NSC 8124, MFCD00002707, UNII-9KX7ZMG0MK, 9KX7ZMG0MK, AI3-15375, H2malo, EINECS 205-503-0, BRN 1751370, Methanedicarbonic acid, CHEBI:30794, Thallium malonate, HOOC-CH2-COOH, NSC-8124, Propane-1,3-dioic acid, Malonicacid, alpha,omega-Dicarboxylic acid, DTXSID7021659, HSDB 8437, NSC8124, 4-02-00-01874 (Beilstein Handbook Reference), 1,3-Propanoic acid, Malonic acid-13C3, PROPANEDIOLIC ACID, METAHNEDICARBOXYLIC ACID, 2fah, MLI, Malonic acid, 99%, Malonic acid (8CI), 1o4m, 63524-05-0, Malonate dicarboxylic acid, Malonic acid, 99.5%, Propanedioic acid (9CI), SCHEMBL336, WLN: QV1VQ, MALONIC ACID [MI], CH2(COOH)2, CHEMBL7942, DTXCID401659, SCHEMBL1471092, BDBM14673, Propanedioic acid dithallium salt, Malonic acid, analytical standard, BCP05571, STR00614, Tox21_200534, AC8295, LMFA01170041, s3029, STL194278, Malonic acid, ReagentPlus(R), 99%, AKOS000119034, CS-W019962, DB02175, FM32432, PROPANEDIOIC ACID MALONIC ACID, NCGC00248681-01, NCGC00258088-01, BP-11453, CAS-141-82-2, SY001875, DB-081008, DB-088240, Malonic acid, SAJ first grade, >=99.0%, M0028, NS00013842, EN300-18457, Malonic acid, Vetec(TM) reagent grade, 98%, C00383, C02028, C04025, Q421972, Z57965450, F1908-0177, Malonic acid, certified reference material, TraceCERT(R), 592A9849-68C3-4635-AA3D-CBC44965EA3A, Malonic acid, sublimed grade, >=99.95% trace metals basis, DICARBOXYLIC ACID C3, PROPANEDIOLIC ACID, METHANEDICARBOXYLIC ACID, InChI=1/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7, Malonic acid, anhydrous, free-flowing, Redi-Dri(TM), ReagentPlus(R), 99%, 205-503-0, 87205-08-1, LML |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Dicarboxylic acids |
| Deep Smiles | OC=O)CC=O)O |
| Heavy Atom Count | 7.0 |
| Pathway Kegg Map Id | map00250 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | Malonic acid (IUPAC systematic name: propanedioic acid) is a dicarboxylic acid with structure CH2(COOH)2. The ionised form of malonic acid, as well as its esters and salts, are known as malonates. For example, diethyl malonate is malonic acid's ethyl ester. The name originates from Latin malum, meaning apple. Malonic acid is the archetypal example of a competitive inhibitor: it acts against succinate dehydrogenase (complex II) in the respiratory electron transport chain., Malonic acid (IUPAC systematic name: propanedioic acid) is a dicarboxylic acid with structure CH2(COOH)2. The ionised form of malonic acid, as well as its esters and salts, are known as malonates. For example, diethyl malonate is malonic acid's ethyl ester. The name originates from the Greek word ????? (malon) meaning 'apple'. Propanedioic acid is found in many foods, some of which are green bell pepper, red bell pepper, common beet, and sweet orange. |
| Classyfire Subclass | Dicarboxylic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 83.1 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P80404, P12931 |
| Uniprot Id | P80404, P22309, P12931 |
| Iupac Name | propanedioic acid |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -0.8 |
| Superclass | Organic acids and derivatives |
| Subclass | Dicarboxylic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H4O4 |
| Inchi Key | OFOBLEOULBTSOW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 1,3-Propanedioic acid, alpha,Omega-dicarboxylic acid, Carboxyacetic acid, Dicarboxylate, Dicarboxylic acid, Dicarboxymethane, H2Malo, HOOC-CH2-COOH, Kyselina malonova, Malonate, Malonate dicarboxylic acid, Malonic acid, Malonic acid, 8CI, Metahnedicarboxylic acid, Methanedicarbonic acid, Methanedicarboxylic acid, Propanedioate, Propanedioic acid, Propanedioic acid dithallium salt, Propanediolic acid, Thallium malonate, Malonic acid, 2-(14)C-labeled, Malonic acid, monocalcium salt, Malonic acid, 1,3-(14)C2-labeled, Malonic acid, diammonium salt, Malonic acid, disodium salt, Malonic acid, dithallium salt, Malonic acid, dipotassium salt, Malonic acid, disodium salt, 1-(14)C-labeled, Malonic acid, monosodium salt, Malonic acid, potassium salt, Malonic acid, sodium salt, Thallous malonate, Dithallium malonate, Monosodium malonate, malonic acid |
| Substituent Name | 1,3-dicarbonyl compound, Dicarboxylic acid or derivatives, Carboxylic acid, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O |
| Compound Name | Malonic acid |
| Kingdom | Organic compounds |
| Exact Mass | 104.011 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 104.011 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 104.06 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) |
| Smiles | C(C(=O)O)C(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dicarboxylic acids and derivatives |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Ananas Comosus (Plant) Rel Props:Reference:ISBN:9788172362140 - 2. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Carissa Carandas (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788171360536 - 8. Outgoing r'ship
FOUND_INto/from Cedrus Deodara (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788172363130 - 9. Outgoing r'ship
FOUND_INto/from Citrullus Colocynthis (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788172361792 - 10. Outgoing r'ship
FOUND_INto/from Citrus Aurantiifolia (Plant) Rel Props:Source_db:fooddb_chem_all - 11. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:fooddb_chem_all - 12. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 13. Outgoing r'ship
FOUND_INto/from Cucumis Melo (Plant) Rel Props:Source_db:fooddb_chem_all - 14. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Reference:ISBN:9788172361150 - 15. Outgoing r'ship
FOUND_INto/from Equisetum Arvense (Plant) Rel Props:Reference:ISBN:9788185042084 - 16. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:fooddb_chem_all - 17. Outgoing r'ship
FOUND_INto/from Gynostemma Pentaphyllum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/2619894 - 18. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all - 19. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all - 20. Outgoing r'ship
FOUND_INto/from Litchi Chinensis (Plant) Rel Props:Reference:ISBN:9780387706375 - 21. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Reference:ISBN:9788172361150 - 22. Outgoing r'ship
FOUND_INto/from Phaseolus Coccineus (Plant) Rel Props:Source_db:fooddb_chem_all - 23. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 24. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:fooddb_chem_all - 25. Outgoing r'ship
FOUND_INto/from Selenicereus Grandiflorus (Plant) Rel Props:Reference:ISBN:9780387706375 - 26. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all