MiMeDB: Showing metabocard for aldehydo-D-glucuronate (MMDBc0032149)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 02:04:25 UTC

Update Date

2024-10-17 15:05:47 UTC

Metabolite ID

MMDBc0032149

Metabolite Identification

Common Name

aldehydo-D-glucuronate

Description

Aldehydo-D-glucuronate is an intermediate in beta-D-glucuronide and D-glucuronate degradation pathway in E.coli. It is a substrate for the enzyme D-glucuronate isomerase which catalyzes the reaction aldehydo-D-glucuronate -> D-fructuronate. It is also a product in the spontaneous reaction D-glucopyranuronate -> aldehydo-D-glucuronate (BioCyc compound: CPD-15530).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2S,3S,4S,5R)-2,3,4,5-Tetrahydroxy-6-oxohexanoic acid	ChEBI
D-Glucuronic acid	ChEBI
(2S,3S,4S,5R)-2,3,4,5-Tetrahydroxy-6-oxohexanoate	Generator
D-Glucuronate	Generator
Aldehydo-D-glucuronic acid	Generator
Glucuronic acid	MeSH
Monopotassium glucuronate	MeSH
Glucuronate	MeSH
Glucuronate, monopotassium	MeSH
Monosodium glucuronate	MeSH
Glucuronic acid, 6-(14)C-labeled, (D)-isomer	MeSH
Glucuronic acid, monopotassium salt	MeSH
Glucuronate, monosodium	MeSH
Glucuronic acid, monosodium salt	MeSH

Molecular Formula

C₆H₁₀O₇

Average Mass

194.1394

Monoisotopic Mass

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)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1

InChI Key

IAJILQKETJEXLJ-QTBDOELSSA-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
Hexose monosaccharide
Medium-chain hydroxy acid
Medium-chain fatty acid
Hydroxy fatty acid
Beta-hydroxy acid
Fatty acyl
Fatty acid
Monosaccharide
Hydroxy acid
Beta-hydroxy aldehyde
Alpha-hydroxy acid
Alpha-hydroxyaldehyde
Secondary alcohol
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxide
Hydrocarbon derivative
Carbonyl group
Aldehyde
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

D-glucuronic acid (CHEBI:47953 )

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

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Unknown

Exposure Sources

Source Type	Activity	Data Source	Reference
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

C00001123

Chemspider ID

Not Available

KEGG Compound ID

C16245

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

65041

PDB ID

Not Available

ChEBI ID

47953

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]

Showing metabocard for aldehydo-D-glucuronate (MMDBc0032149)

MOL for #<Metabolite:0x00007fdb728adab8>

3D MOL for #<Metabolite:0x00007fdb728adab8>

3D SDF for #<Metabolite:0x00007fdb728adab8>

3D-SDF for #<Metabolite:0x00007fdb728adab8>

PDB for #<Metabolite:0x00007fdb728adab8>

3D PDB for #<Metabolite:0x00007fdb728adab8>

SMILES for #<Metabolite:0x00007fdb728adab8>

INCHI for #<Metabolite:0x00007fdb728adab8>

Structure for #<Metabolite:0x00007fdb728adab8>

3D Structure for #<Metabolite:0x00007fdb728adab8>