MiMeDB: Showing metabocard for Galactaric acid (MMDBc0029502)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:24:53 UTC

Update Date

2024-10-17 07:26:40 UTC

Metabolite ID

MMDBc0029502

Metabolite Identification

Common Name

Galactaric acid

Description

Galactaric acid is the dicarboxylic sugar acid resulting from oxidation glactose with dilute nitric acid. It is a substrate of galactarate O-hydroxycinnamoyltransferase [EC 2.3.1.130]. (KEGG)

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Acido galactarico	ChEBI
Acido mucico	ChEBI
Galactarsaeure	ChEBI
Galactosaccharic acid	ChEBI
Galaktarsaeure	ChEBI
Mucic acid	ChEBI
Mucinsaeure	ChEBI
Saccharolactic acid	ChEBI
Schleimsaeure	ChEBI
D-Mucic acid	Kegg
D-Galactaric acid	Kegg
Galactarate	Kegg
Galactosaccharate	Generator
Mucate	Generator
Saccharolactate	Generator
D-Mucate	Generator
D-Galactarate	Generator
(2R,3S,4R,5S)-2,3,4,5-Tetrahydroxyhexanedioate	HMDB
(2R,3S,4R,5S)-2,3,4,5-Tetrahydroxyhexanedioic acid	HMDB
Hexaric acid	HMDB
Meso-galactaric acid	HMDB
Schleimsaure	HMDB
Strontium galactarate mono-hydrate	HMDB
Galactaric acid, sodium salt	HMDB

Molecular Formula

C₆H₁₀O₈

Average Mass

210.1388

Monoisotopic Mass

210.037567296

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

526-99-8

SMILES

Not Available

InChI Identifier

InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-

InChI Key

DSLZVSRJTYRBFB-DUHBMQHGSA-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
Medium-chain hydroxy acid
Medium-chain fatty acid
Beta-hydroxy acid
Hydroxy fatty acid
Monosaccharide
Hydroxy acid
Dicarboxylic acid or derivatives
Alpha-hydroxy acid
Fatty acyl
Fatty acid
Secondary alcohol
Polyol
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxide
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

hexaric acid (CHEBI:30852 )
Dicarboxylic acids (LMFA01170107 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Saliva
Urine

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
MMDBp0192118	UDP-glucuronosyltransferase 2B4	Enzyme	P06133	Homo sapiens
MMDBp0192135	UDP-glucuronosyltransferase 1-4	Enzyme	P22310	Homo sapiens
MMDBp0192137	UDP-glucuronosyltransferase 2B7	Enzyme	P16662	Homo sapiens
MMDBp0192140	UDP-glucuronosyltransferase 1-1	Enzyme	P22309	Homo sapiens
MMDBp0192141	UDP-glucuronosyltransferase 1-9	Enzyme	O60656	Homo sapiens
MMDBp0192146	UDP-glucuronosyltransferase 1-6	Enzyme	P19224	Homo sapiens

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
Eosinophilic esophagitis		Association	Human Urine	HMDB	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	2	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Unknown
Bacteria	Firmicutes	2	Human feces

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
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	Units	Age	Sex	Health Condition	Data Source	Reference
Human Urine	Detected and Quantified	19.066	16.587	umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	12.522	7.499	umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Saliva	Detected and Quantified	0.172	0.160	uM	Adult (>18 years old)	Both	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.266	0.160	uM	Adult (>18 years old)	Female	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.312	0.202	uM	Adult (>18 years old)	Female	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Blood	Detected but not Quantified							HMDB

External Links

HMDB ID

HMDB0000639

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Galactaric_acid

METLIN ID

5612

PubChem Compound

3037582

PDB ID

Not Available

ChEBI ID

30852

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Hirayama A, Nakashima E, Sugimoto M, Akiyama S, Sato W, Maruyama S, Matsuo S, Tomita M, Yuzawa Y, Soga T: Metabolic profiling reveals new serum biomarkers for differentiating diabetic nephropathy. Anal Bioanal Chem. 2012 Dec;404(10):3101-9. doi: 10.1007/s00216-012-6412-x. Epub 2012 Sep 29. [PubMed:23052862 ]
Jana GA, Al Kharusi L, Sunkar R, Al-Yahyai R, Yaish MW: Metabolomic analysis of date palm seedlings exposed to salinity and silicon treatments. Plant Signal Behav. 2019;14(11):1663112. doi: 10.1080/15592324.2019.1663112. Epub 2019 Sep 11. [PubMed:31505987 ]
Shibutami E, Ishii R, Harada S, Kurihara A, Kuwabara K, Kato S, Iida M, Akiyama M, Sugiyama D, Hirayama A, Sato A, Amano K, Sugimoto M, Soga T, Tomita M, Takebayashi T: Charged metabolite biomarkers of food intake assessed via plasma metabolomics in a population-based observational study in Japan. PLoS One. 2021 Feb 10;16(2):e0246456. doi: 10.1371/journal.pone.0246456. eCollection 2021. [PubMed:33566801 ]

Showing metabocard for Galactaric acid (MMDBc0029502)

MOL for #<Metabolite:0x00007fdb7095b908>

3D MOL for #<Metabolite:0x00007fdb7095b908>

3D SDF for #<Metabolite:0x00007fdb7095b908>

3D-SDF for #<Metabolite:0x00007fdb7095b908>

PDB for #<Metabolite:0x00007fdb7095b908>

3D PDB for #<Metabolite:0x00007fdb7095b908>

SMILES for #<Metabolite:0x00007fdb7095b908>

INCHI for #<Metabolite:0x00007fdb7095b908>

Structure for #<Metabolite:0x00007fdb7095b908>

3D Structure for #<Metabolite:0x00007fdb7095b908>