Record Information Version
1.0 Update Date
1/22/2018 11:54:54 AM
Metabolite ID PAMDB110086
Identification Name:
1,4-dihydroxy-2-naphthoate Description: Not Available
Structure
Synonyms:
Chemical Formula:
C11 H7 O4
Average Molecular Weight:
204.0422587452 Monoisotopic Molecular
Weight:
204.0422587452 InChI Key:
VOJUXHHACRXLTD-UHFFFAOYSA-M InChI:
InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)/p-1 CAS
number:
Not Available IUPAC Name: Not Available
Traditional IUPAC Name:
Not Available SMILES: C([O-])(=O)C1(=C(O)C2(=C(C(O)=C1)C=CC=C2))
Chemical Taxonomy
Taxonomy Description This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
Kingdom
Organic compounds Super Class Benzenoids
Class
Naphthalenes Sub Class Naphthalenecarboxylic acids and derivatives
Direct Parent
Naphthalenecarboxylic acids Alternative Parents
Substituents
2-naphthalenecarboxylic acid 1-naphthol Hydroxybenzoic acid 1-hydroxy-2-unsubstituted benzenoid Phenoxide Vinylogous acid Monocarboxylic acid or derivatives Carboxylic acid Carboxylic acid derivative Organic oxygen compound Organic oxide Hydrocarbon derivative Organooxygen compound Organic anion Aromatic homopolycyclic compound Molecular Framework
Aromatic homopolycyclic compounds External Descriptors
hydroxy monocarboxylic acid anion (CHEBI:11173) a small molecule (DIHYDROXYNAPHTHOATE)
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.
