Isocitric acid

enlarge

Systematic / IUPAC Name: 3-Carboxy-2,3-dideoxypentaric acid

ID: Reference7183

Other Names: DL-Isocitric acid;
Pentaric acid, 3-carboxy-2,3-dideoxy-;
1-Hydroxy-1,2,3-propanetricarboxylic acid;
1-Hydroxypropane-1,2,3-tricarboxylic acid;
1-Hydroxytricarballylic acid

Formula: C6H8O7

Spectral Data

Isocitric 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 115
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/14/2017 1:39:59 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)
InChI Key ODBLHEXUDAPZAU-UHFFFAOYSA-N
Canonical SMILES C(C(C(C(=O)O)O)C(=O)O)C(=O)O
CAS
Splash
Other Names DL-Isocitric acid;
Pentaric acid, 3-carboxy-2,3-dideoxy-;
1-Hydroxy-1,2,3-propanetricarboxylic acid;
1-Hydroxypropane-1,2,3-tricarboxylic acid;
1-Hydroxytricarballylic acid;
3-Carboxy-2,3-dideoxy-1-hydroxypropan-1,2,3-tricarboxylic acid

In Other Databases

PubChem 1198
ChEMBL CHEMBL539669
ChEBI CHEBI:30887
Wikipedia Isocitric_acid
KEGG C00311
ChemSpider 1161
ChemIDPlus 000320774; 001637736
HMDb HMDB00193