Record Information Version
1.0 Update Date
1/22/2018 11:54:54 AM
Metabolite ID PAMDB110611
Identification Name:
4-deoxy-α-L-erythro -hex-4-enopyranuronate-β-D-mannuronate Description: Not Available
Structure
Synonyms:
all carbohydrates →
a carbohydrate →
a glycan →
an oligosaccharide →
a disaccharide →
a 4-deoxy-alpha-L-erythro-hex-4-enopyranuronate-uronate disccharide
Chemical Formula:
C12 H14 O12
Average Molecular Weight:
352.0641759788 Monoisotopic Molecular
Weight:
352.0641759788 InChI Key:
LLVVMXFNKAHVEZ-RFLUTDSNSA-L InChI:
InChI=1S/C12H16O12/c13-2-1-3(9(17)18)22-12(4(2)14)24-7-5(15)6(16)11(21)23-8(7)10(19)20/h1-2,4-8,11-16,21H,(H,17,18)(H,19,20)/p-2/t2-,4-,5+,6-,7-,8-,11+,12-/m0/s1 CAS
number:
Not Available IUPAC Name: Not Available
Traditional IUPAC Name:
Not Available SMILES: C(C1(OC(C(C(C=1)O)O)OC2(C(OC(C(C2O)O)O)C([O-])=O)))([O-])=O
Chemical Taxonomy
Taxonomy Description This compound belongs to the class of organic compounds known as glucuronic acid derivatives. These are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
Kingdom
Organic compounds Super Class Organic oxygen compounds
Class
Organooxygen compounds Sub Class Carbohydrates and carbohydrate conjugates
Direct Parent
Glucuronic acid derivatives Alternative Parents
Substituents
Glucuronic acid or derivatives Disaccharide Dicarboxylic acid or derivatives Oxane Pyran Hemiacetal Secondary alcohol Polyol Organoheterocyclic compound Acetal Oxacycle Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Organic oxide Carbonyl group Alcohol Organic anion Aliphatic heteromonocyclic compound Molecular Framework
Aliphatic heteromonocyclic compounds External Descriptors
a small molecule (CPD-11242)
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.
