Tricarballylic acid

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Systematic / IUPAC Name: Propane-1,2,3-tricarboxylic acid

ID: Reference13860

Other Names: 1,2,3-Propanetricarboxylic acid;
AA-4186

Formula: C6H8O6

Class: Endogenous Metabolites

Spectral Data

Tricarballylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 810
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 4/7/2026 3:45:58 PM
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Identificators

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)
InChI Key KQTIIICEAUMSDG-UHFFFAOYSA-N
Canonical SMILES O=C(O)CC(CC(=O)O)C(=O)O
CAS
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Other Names 1,2,3-Propanetricarboxylic acid;
AA-4186

In Other Databases

ChEBI CHEBI:45969
ChemSpider 14220
HMDb HMDB31193
PubChem 14925; 14925
Wikipedia Propane-1,2,3-tricarboxylic acid
ChEMBL CHEMBL1236394
DrugBank DB04562; DB04562
KEGG C19806