Tricarballylic Acid
PubChem CID: 14925
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Tricarballylic acid, 99-14-9, 1,2,3-Propanetricarboxylic acid, Propane-1,2,3-tricarboxylic acid, Carballylic acid, Tricarballylate, beta-Carboxyglutaric acid, 1,2,3-Propanetricarboxylicacid, 3-carboxyglutaric acid, .beta.-Carboxyglutaric acid, carboxymethylsuccinic acid, CHEBI:45969, PROPANE TRICARBOXYLIC ACID, NSC2347, 3-carboxypentanedioic acid, Propane 1,2,3-tricarboxylic acid, NSC-2347, RA5QH2J020, NSC 2347, 1,2,3-tricarboxypropane, EINECS 202-733-3, MFCD00002723, AI3-52246, DTXSID8059186, TRICARBALLYLIC ACID [MI], 1,2,3-Tripropanetricarboxylic acid, TRC, UNII-RA5QH2J020, betaCarboxyglutaric acid, Tricarballylic acid, 99%, NCIStruc1_000003, NCIStruc2_000057, SCHEMBL34866, 1,3-Propanetricarboxylic acid, 1,2,3propanetricarboxylic acid, Propane 1,3-tricarboxylic acid, Propane-1,3-tricarboxylic acid, Propane1,2,3tricarboxylic acid, CHEMBL1236394, DTXCID3049095, NCI2347, Propane 1,2,3tricarboxylic acid, Propane-1,2,3-tricarboxylicacid, 1,2,3-propane tricarboxylic acid, AAA09914, BDBM50119563, CCG-37950, NCGC00013020, s6286, STL573301, AKOS000277372, DB04562, HY-W020215, NCGC00013020-02, NCGC00096147-01, PROPANE TRICARBOXYLIC ACID [INCI], AS-10539, NCI60_001896, SY049169, DB-372131, CS-0039229, NS00040544, P0490, C19806, EN300-112188, H10777, AI-942/42301799, Q2823313, BRD-K22081896-001-01-4, Z1255419161, 202-733-3, InChI=1/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12 |
|---|---|
| Topological Polar Surface Area | 112.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 12.0 |
| Description | Isolated from plants e.g. sugarbeet sap, sap of Acer saccharinum (maple syrup) Propane-1,2,3-tricarboxylic acid, also known as tricarballylic acid, carballylic acid, and beta-carboxyglutaric acid, is a tricarboxylic acid that has three carboxylic acid functional groups. The compound is an inhibitor of the enzyme aconitase and interferes with the Krebs cycle. 1,2,3-Propanetricarboxylic acid is found in red beetroot, root vegetables, and corn. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 192.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | Q99798 |
| Uniprot Id | Q99798, Q9GZT4 |
| Iupac Name | propane-1,2,3-tricarboxylic acid |
| Nih Violation | True |
| Class | Carboxylic acids and derivatives |
| Xlogp | -1.2 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Tricarboxylic acids and derivatives |
| Molecular Formula | C6H8O6 |
| Inchi Key | KQTIIICEAUMSDG-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | 1,2,3-Propanetricarboxylate, 1,2,3-Tripropanetricarboxylic acid, 3-Carboxyglutarate, 3-Carboxyglutaric acid, 3-Carboxypentanedioate, 3-Carboxypentanedioic acid, b-Carboxyglutarate, b-Carboxyglutaric acid, beta-Carboxyglutarate, Beta-carboxyglutaric acid, Carballylate, Carballylic acid, Carboxymethylsuccinate, Carboxymethylsuccinic acid, Propane 1,2,3-tricarboxylic acid, Tricarballylate, Tricarballylic acid, β-carboxyglutarate, β-carboxyglutaric acid, beta-Carboxyglutaric acid, Β-carboxyglutarate, Β-carboxyglutaric acid, Tricarballylic acid, trisodium salt, Propane-1,2,3-tricarboxylate, Tricarballylic acid, sodium salt, 1,2,3-Propanetricarboxylic acid |
| Substituent Name | Tricarboxylic acid or derivatives, Carboxylic acid, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Compound Name | Tricarballylic Acid |
| Kingdom | Organic compounds |
| Exact Mass | 176.032 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 176.032 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 176.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| Smiles | C(C(CC(=O)O)C(=O)O)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Tricarboxylic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all