Oxaloacetic Acid
PubChem CID: 970
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | oxalacetic acid, oxaloacetic acid, 328-42-7, 2-Oxobutanedioic acid, 2-Oxosuccinic acid, oxaloacetate, Ketosuccinic acid, Oxosuccinic acid, Butanedioic acid, oxo-, Oxobutanedioic acid, 2-Ketosuccinic acid, Oxalacetic acetic, Bioepg, 2-oxo-butanedioic acid, Butanedioic acid, 2-oxo-, MFCD00002592, NSC 77688, Oxaloethanoic acid, EINECS 206-329-8, OAA, DTXSID8021646, keto-oxaloacetate, CHEBI:30744, alpha-Ketosuccinic acid, 2F399MM81J, NSC-77688, Anhydrous enol-oxaloacetate, OXALACETIC ACID [MI], 3-carboxy-3-oxopropanoic acid, DTXCID901646, OXALACETIC ACID [WHO-DD], 2-oxobutanedioate, OXALACETIC ACID TRANS-(Z)-ENOL FORM [MI], OxalaceticAcid, Acid, Oxalacetic, Acid, Oxaloacetic, 2 Ketosuccinic Acid, 2 oxo Butanedioic Acid, Ketosuccinate, Oxaloethanoate, a-Ketosuccinate, UNII-2F399MM81J, 2-Ketosuccinate, 2-Oxosuccinate, 4cts, 2ketosuccinic acid, keto-succinic acid, alpha-Ketosuccinate, a-Ketosuccinic acid, 2Oxobutanedioic acid, Butanedioic acid, oxo, Butanedioic acid, 2oxo, Oxalacetic acid (8CI), SCHEMBL8464, GTPL5236, OXOSUCCINIC ACID [INCI], Butanedioic acid, oxo- (9CI), CHEMBL1794791, BDBM23230, BCP16299, NSC77688, Oxaloacetic acid, >=97% (HPLC), Tox21_201215, LMFA01170120, s6112, STL168038, AKOS000121850, CS-W011098, FO12113, HY-W010382, NCGC00248960-01, NCGC00258767-01, AS-17361, CAS-328-42-7, SY010263, DB-048279, DB-228237, OXALACETIC ACID TRANS-(Z)-ENOL FORM, NS00015158, O0072, EN300-28603, C00036, H12016, Q408658, BRD-K61279411-001-02-0, Z271128590, F15D7D2F-5E37-4B87-A8D2-824D5097A4DE, Oxaloacetic acid, Hybri-Max(TM), powder, suitable for hybridoma, 206-329-8, 7619-04-7, Oxaloacetic acid, powder, BioReagent, suitable for cell culture, suitable for insect cell culture, >=97% (HPLC) |
|---|---|
| Topological Polar Surface Area | 91.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Description | Oxalacetic acid, also known as ketosuccinic acid or oxaloacetate, belongs to short-chain keto acids and derivatives class of compounds. Those are keto acids with an alkyl chain the contains less than 6 carbon atoms. Thus, oxalacetic acid is considered to be a fatty acid lipid molecule. Oxalacetic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Oxalacetic acid can be synthesized from succinic acid. Oxalacetic acid can also be synthesized into oxaloacetic acid 4-methyl ester. Oxalacetic acid can be found in a number of food items such as daikon radish, sacred lotus, cucurbita (gourd), and tarragon, which makes oxalacetic acid a potential biomarker for the consumption of these food products. Oxalacetic acid can be found primarily in cellular cytoplasm, cerebrospinal fluid (CSF), and urine, as well as in human liver tissue. Oxalacetic acid exists in all living species, ranging from bacteria to humans. In humans, oxalacetic acid is involved in several metabolic pathways, some of which include the oncogenic action of succinate, the oncogenic action of 2-hydroxyglutarate, glycogenosis, type IB, and the oncogenic action of fumarate. Oxalacetic acid is also involved in several metabolic disorders, some of which include the oncogenic action of l-2-hydroxyglutarate in hydroxygluaricaciduria, transfer of acetyl groups into mitochondria, argininemia, and 2-ketoglutarate dehydrogenase complex deficiency. Moreover, oxalacetic acid is found to be associated with anoxia. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 158.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P53396, P11498, O75390, Q99489, P17174, P00505, P48163, P40926, Q16798, P40925, P23368, Q16822, P35558, Q96RQ9, A6ND91, Q8NHS2, Q9NQR4, n.a., Q84406, P0DTD1 |
| Iupac Name | 2-oxobutanedioic acid |
| Prediction Hob | 1.0 |
| Class | Keto acids and derivatives |
| Xlogp | -0.6 |
| Superclass | Organic acids and derivatives |
| Subclass | Short-chain keto acids and derivatives |
| Molecular Formula | C4H4O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KHPXUQMNIQBQEV-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -0.048 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | -0.394 |
| Synonyms | 2-Oxobutanedioic acid, 2-Oxosuccinic acid, 3-Carboxy-3-oxopropanoic acid, Keto-succinic acid, Ketosuccinic acid, OAA, Oxobutanedioic acid, Oxosuccinic acid, Oxaloacetic acid, Keto-oxaloacetate, 2-Oxobutanedioate, 2-Oxosuccinate, 3-Carboxy-3-oxopropanoate, Keto-succinate, Ketosuccinate, Oxobutanedioate, Oxosuccinate, Oxaloacetate, Keto-oxaloacetic acid, Oxalacetate, 2-Ketosuccinate, 2-Ketosuccinic acid, a-Ketosuccinate, a-Ketosuccinic acid, alpha-Ketosuccinate, alpha-Ketosuccinic acid, Oxaloethanoate, Oxaloethanoic acid, Acid, oxaloacetic, Acid, oxalacetic, 2 Ketosuccinic acid, 2 oxo Butanedioic acid, 2-oxo-Butanedioic acid |
| Compound Name | Oxaloacetic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.006 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.006 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 132.07 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -0.06394019999999984 |
| 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 |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Short-chain keto acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Euonymus Alatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all