Dataset
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Oxobutanedioic acid, Oxalacetic acid, Hydroxybutenedioic acid, Oxaloacetate, 2-Oxosuccinic acid, Oxaloacetic acid, keto-Oxaloacetate, Ketosuccinic acid
Chemical Info
| InChI | InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9) |
|---|---|
| SMILES | C(C(=O)C(=O)O)C(=O)O |
| InChI Key | KHPXUQMNIQBQEV-UHFFFAOYSA-N |
| Molecular Formula | C4H4O5 |
| Exact Mass | 132.071 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS048801 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:06:37.537679 |
| MetadataModified | 2024-01-11T21:06:37.694034 |
| MetadataPublished | 2009-02-09 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 970 | PubChem |
| 15297251 | PubChem: Thomson Pharma |
| 328-42-7 | ACToR |
| 60020823 | NMRShiftDB |
| PD048333 | ProbesDrugs |
| 184372 | Brenda |
| DB16921 | DrugBank |
| 2F399MM81J | FDA SRS |
| CHEMBL1794791 | ChEMBL |
| 5236 | Guide to Pharmacology |
| J5.675H | Nikkaji |
| MCULE-6059222019 | Mcule |
| SCHEMBL8464 | SureChEMBL |
| LMFA01170120 | LipidMaps |
| ZINC000001532521 | ZINC |
| DTXSID8021646 | EPA CompTox Dashboard |
| 23230 | BindingDB |
| CB62129873 | ChemicalBook |
| OXALOACETATE | rxnorm |
| OXALOACETIC ACID | rxnorm |
| HY-W010382 | MedChemExpress |
| CB0271682 | ChemicalBook |
| 30744 | ChEBI |
| 29413 | Brenda |
| 5102 | Brenda |
| 32366 | Brenda |
| 15805 | Brenda |
| HMDB0000223 | Human Metabolome Database |
| MTBLC30744 | Metabolights |
| 121816 | Brenda |
| 141277 | Brenda |
| 90136 | Brenda |
| 57 | Brenda |
| 2862 | Brenda |
| 2575 | Brenda |
| 128526 | Brenda |
| C00036 | KEGG Ligand |
| 485113 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |