MiMeDB: Showing metabocard for 2-amino-2-deoxy-D-gluconic acid (MMDBc0054156)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-06-05 22:56:24 UTC

Update Date

2024-04-30 20:51:48 UTC

Metabolite ID

MMDBc0054156

Metabolite Identification

Common Name

2-amino-2-deoxy-D-gluconic acid

Description

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₆H₁₃NO₆

Average Mass

195.1705

Monoisotopic Mass

195.074287153

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1

InChI Key

UFYKDFXCZBTLOO-TXICZTDVSA-N

Chemical Taxonomy

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/Eubacteria	Proteobacteria	1	Human ; Human subgingival plaque

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

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

External Links

Not Available

References

Synthesis Reference

Not Available

General References

Simon-Manso Y, Marupaka R, Yan X, Liang Y, Telu KH, Mirokhin Y, Stein SE: Mass Spectrometry Fingerprints of Small-Molecule Metabolites in Biofluids: Building a Spectral Library of Recurrent Spectra for Urine Analysis. Anal Chem. 2019 Sep 17;91(18):12021-12029. doi: 10.1021/acs.analchem.9b02977. Epub 2019 Aug 30. [PubMed:31424920 ]

Showing metabocard for 2-amino-2-deoxy-D-gluconic acid (MMDBc0054156)

MOL for #<Metabolite:0x00007f7ad50728b0>

3D MOL for #<Metabolite:0x00007f7ad50728b0>

3D SDF for #<Metabolite:0x00007f7ad50728b0>

3D-SDF for #<Metabolite:0x00007f7ad50728b0>

PDB for #<Metabolite:0x00007f7ad50728b0>

3D PDB for #<Metabolite:0x00007f7ad50728b0>

SMILES for #<Metabolite:0x00007f7ad50728b0>

INCHI for #<Metabolite:0x00007f7ad50728b0>

Structure for #<Metabolite:0x00007f7ad50728b0>

3D Structure for #<Metabolite:0x00007f7ad50728b0>