3PY
3-HYDROXYPYRUVIC ACID
| Created: | 1999-07-08 |
| Last modified: | 2024-09-27 |
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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 | 3-HYDROXYPYRUVIC ACID |
| Systematic Name (OpenEye OEToolkits) | 3-hydroxy-2-oxo-propanoic acid |
| Formula | C3 H4 O4 |
| Molecular Weight | 104.061 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=O)CO |
| SMILES | CACTVS | 3.341 | OCC(=O)C(O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)C(=O)O)O |
| Canonical SMILES | CACTVS | 3.341 | OCC(=O)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7) |
| InChIKey | InChI | 1.03 | HHDDCCUIIUWNGJ-UHFFFAOYSA-N |
Drug Info: DrugBank
| DrugBank ID | DB02951 |
|---|---|
| Name | 3-Hydroxypyruvic Acid |
| Groups | experimental |
| Synonyms | 3-Hydroxypyruvic Acid |
| Categories | Keto Acids |
| CAS number | 1113-60-6 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Triosephosphate isomerase | MARKYFVAANWKCNGTLESIKSLTNSFNNLDFDPSKLDVVVFPVSVHYDH... | unknown | |
| N-acetylneuraminate lyase | MATNLRGVMAALLTPFDQQQALDKASLRRLVQFNIQQGIDGLYVGGSTGE... | unknown |
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 | 964 |
| ChEBI | CHEBI:30841 |
