MLA
MALONIC ACID
| Created: | 2001-08-17 |
| Last modified: | 2024-11-26 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 11 |
| Chiral Atom Count | 0 |
| Bond Count | 10 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | MALONIC ACID |
| Synonyms | DICARBOXYLIC ACID C3; PROPANEDIOLIC ACID; METHANEDICARBOXYLIC ACID |
| Systematic Name (OpenEye OEToolkits) | propanedioic acid |
| Formula | C3 H4 O4 |
| Molecular Weight | 104.061 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(=O)O |
| SMILES | CACTVS | 3.341 | OC(=O)CC(O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)C(=O)O |
| Canonical SMILES | CACTVS | 3.341 | OC(=O)CC(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) |
| InChIKey | InChI | 1.03 | OFOBLEOULBTSOW-UHFFFAOYSA-N |
Drug Info: DrugBank
| DrugBank ID | DB02175 |
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| Name | Malonic acid |
| Groups | experimental |
| Synonyms |
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| Categories |
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| CAS number | 141-82-2 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Aspartate 1-decarboxylase | MIRTMLQGKLHRVKVTHADLHYEGSCAIDQDFLDAAGILENEAIDIWNVT... | unknown | |
| Proto-oncogene tyrosine-protein kinase Src | MGSNKSKPKDASQRRRSLEPAENVHGAGGGAFPASQTPSKPASADGHRGP... | unknown | |
| Sigma factor SigB regulation protein RsbQ | MNEAILSRNHVKVKGSGKASIMFAPGFGCDQSVWNAVAPAFEEDHRVILF... | unknown | |
| Putative cytochrome P450 | MTEETISQAVPPVRDWPAVDLPGSDFDPVLTELMREGPVTRISLPNGEGW... | unknown | |
| U1 small nuclear ribonucleoprotein A | MAVPETRPNHTIYINNLNEKIKKDELKKSLYAIFSQFGQILDILVSRSLK... | unknown | |
| View More | |||
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 867, 23511544 |
| ChEMBL | CHEMBL7942 |
| ChEBI | CHEBI:30794 |
| CCDC/CSD | HIJYEF, QARGUO, MALNAC16, HOGGUH, MALNAC15, GUDTEG, NUKXUN, FADGEY, MALNAC14, MALNAC13, KOXREU, MALNAC10, MALNAC12, KECKIP, MALNAC02, MEWTAL, NUKXUN02, NUKXUN01, MALNAC11, MALNAC06, DOSQEJ, GANYAW, KAYHID, MALNAC18, CUVDON, MEXDAW, MALNAC17, MUVVUX, EBEROV, HOLHIC, GEPTIG, MALNAC04, DAYZOT, PEKQUS, MOXTOJ, MIZMUE, LHMALN, GUDTAC, MALNAC05, HIQMOL, CIKPIY, PUXXIS |
| COD | 1554235, 2104046, 4116140, 4116149, 4507992, 4507993, 4507994, 4507995, 4507996, 4507997 |
