MiMeDB: Showing metabocard for D-glucopyranuronate (MMDBc0056512)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-07-07 21:51:37 UTC

Update Date

2022-08-14 02:51:23 UTC

MiMeDB ID

MMDBc0056512

Metabolite Identification

Common Name

D-glucopyranuronate

Description

D-glucopyranuronate, also known as glucuronate or glucuronic acid, belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives 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. D-glucopyranuronate is an extremely weak basic (essentially neutral) compound (based on its pKa). D-glucopyranuronate exists in all living organisms, ranging from bacteria to humans. Outside of the human body, D-glucopyranuronate has been detected, but not quantified in, several different foods, such as horseradish tree, dandelions, peachs, almonds, and corns. This could make D-glucopyranuronate a potential biomarker for the consumption of these foods. A D-glucopyranuronate in cyclic pyranose form.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
D-Glucuronic acid	ChEBI
Glucuronate	ChEBI
Glucuronic acid	ChEBI
D-Glucuronate	Generator
D-Glucopyranuronic acid	Generator
Glucuronate, monopotassium	MeSH
Glucuronic acid, monosodium salt	MeSH
Monopotassium glucuronate	MeSH
Glucuronate, monosodium	MeSH
Glucuronic acid, 6-(14)C-labeled, (D)-isomer	MeSH
Glucuronic acid, monopotassium salt	MeSH
Monosodium glucuronate	MeSH

Chemical Formula

C₆H₁₀O₇

Average Molecular Weight

194.1394

Monoisotopic Molecular Weight

194.042652674

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6?/m0/s1

InChI Key

AEMOLEFTQBMNLQ-AQKNRBDQSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives 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
Beta-hydroxy acid
Hydroxy acid
Pyran
Monosaccharide
Oxane
Hemiacetal
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Polyol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-glucuronic acid (CHEBI:47952 )
Uronic acids (C00191 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

HMDB0187523

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB006716

KNApSAcK ID

C00001123

Chemspider ID

Not Available

KEGG Compound ID

C00191

BioCyc ID

D-Glucopyranuronate

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

94715

PDB ID

Not Available

ChEBI ID

47952

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. [PubMed:29457794 ]

Showing metabocard for D-glucopyranuronate (MMDBc0056512)

MOL for #<Metabolite:0x000055b76d328988>

3D MOL for #<Metabolite:0x000055b76d328988>

3D SDF for #<Metabolite:0x000055b76d328988>

3D-SDF for #<Metabolite:0x000055b76d328988>

PDB for #<Metabolite:0x000055b76d328988>

3D PDB for #<Metabolite:0x000055b76d328988>

SMILES for #<Metabolite:0x000055b76d328988>

INCHI for #<Metabolite:0x000055b76d328988>

Structure for #<Metabolite:0x000055b76d328988>

3D Structure for #<Metabolite:0x000055b76d328988>