Record Information Version
1.0 Update Date
1/22/2018 11:54:54 AM
Metabolite ID PAMDB110088
Identification Name:
isochorismate Description: Not Available
Structure
Synonyms:
Chemical Formula:
C10 H8 O6
Average Molecular Weight:
226.0477380536 Monoisotopic Molecular
Weight:
226.0477380536 InChI Key:
NTGWPRCCOQCMGE-YUMQZZPRSA-L InChI:
InChI=1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/p-2/t7-,8-/m0/s1 CAS
number:
Not Available IUPAC Name: Not Available
Traditional IUPAC Name:
Not Available SMILES: C=C(C(=O)[O-])OC1(C=CC=C(C1O)C([O-])=O)
Chemical Taxonomy
Taxonomy Description This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
Kingdom
Organic compounds Super Class Organic acids and derivatives
Class
Hydroxy acids and derivatives Sub Class Beta hydroxy acids and derivatives
Direct Parent
Beta hydroxy acids and derivatives Alternative Parents
Substituents
Beta-hydroxy acid Dicarboxylic acid or derivatives Secondary alcohol Carboxylic acid Carboxylic acid derivative Organic oxygen compound Organic oxide Hydrocarbon derivative Organooxygen compound Carbonyl group Alcohol Organic anion Aliphatic homomonocyclic compound Molecular Framework
Aliphatic homomonocyclic compounds External Descriptors
a small molecule (ISOCHORISMATE)
Physical Properties State:
Not Available Charge: Not Available
Melting point:
Not Available Experimental Properties:
Not Available Predicted Properties
Biological Properties Cellular Locations:
Not Available Reactions:
Pathways:
Spectra Spectra:
Not Available
References References:
Not Available Synthesis Reference:
Not Available Material Safety Data Sheet (MSDS)
Not Available
Links External Links:
This project is supported by
the University of Maryland ,
School of Pharmacy ,
Mass Spectrometry Center , a Waters Center of Excellence. The center is an NIH-investigator funded research and core facility that supports a wide range of cutting-edge metabolomic studies. The Center is supported through a center grant from the University of Maryland and NIH grants to its members. The PAMDB project is affiliated with
The Metabolomics Innovation Centre (TMIC) a leading metabolomics research and service center funded through Genome Alberta, Genome British Columbia and Genome Canada.
