Record Information Version
1.0 Update Date
1/22/2018 11:54:54 AM
Metabolite ID PAMDB110739
Identification Name:
(1E ,3E )-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylate Description: Not Available
Structure
Synonyms:
4-carboxy-2-hydroxyhexa-2,4-cis,cis-dienedioate
4-carboxy-2-hydroxy-cis,cis-muconate
Chemical Formula:
C7 H3 O7
Average Molecular Weight:
202.0113525473 Monoisotopic Molecular
Weight:
202.0113525473 InChI Key:
QWLUKZXOQAQUFQ-DXLKSGPOSA-K InChI:
InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)/p-3/b3-2+,4-1+ CAS
number:
Not Available IUPAC Name: Not Available
Traditional IUPAC Name:
Not Available SMILES: C(=C(O)C(=O)[O-])C(=CC(=O)[O-])C(=O)[O-]
Chemical Taxonomy
Taxonomy Description This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
Kingdom
Organic compounds Super Class Organic acids and derivatives
Class
Carboxylic acids and derivatives Sub Class Tricarboxylic acids and derivatives
Direct Parent
Tricarboxylic acids and derivatives Alternative Parents
Substituents
Tricarboxylic acid or derivatives Enol Carboxylic acid Organic oxygen compound Organic oxide Hydrocarbon derivative Organooxygen compound Carbonyl group Organic anion Aliphatic acyclic compound Molecular Framework
Aliphatic acyclic compounds External Descriptors
1\u003ci\u003eZ\u003c/i\u003e,3\u003ci\u003eZ\u003c/i\u003e-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylate (CPD-12849)
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.
