MiMeDB: Showing metabocard for 2-Dehydro-3-deoxy-D-gluconate (MMDBc0049977)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-04-29 22:47:28 UTC

Update Date

2022-09-01 02:17:40 UTC

MiMeDB ID

MMDBc0049977

Metabolite Identification

Common Name

2-Dehydro-3-deoxy-D-gluconate

Description

Based on a literature review very few articles have been published on (2R,3R)-N-[(5S)-5-({[(2R)-2-amino-3-selanylpropanoyl]asparagyllysylasparagyl}amino)-6-asparagyltryptophyl-6-oxohexyl]-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₀O₆

Average Molecular Weight

178.14

Monoisotopic Molecular Weight

178.047738052

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1

InChI Key

WPAMZTWLKIDIOP-WVZVXSGGSA-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

Feces

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
	Proteobacteria	190	Human Feces; Human	Metabolic reconstruction;
	Synergistetes	4	Human Feces	Metabolic reconstruction
	Firmicutes	184	Human Feces; Human ; Cattle	Metabolic reconstruction;
	Bacteroidetes	84	Human Feces; Human	Metabolic reconstruction;
	Fusobacteria	5	Human Feces	Metabolic reconstruction
	Actinobacteria	26	Human Feces; Human	Metabolic reconstruction;
Fungi	Ascomycota	1		Metabolic reconstruction
	Spirochaetes	2	Human Feces; Pig	Metabolic reconstruction;
	Planctomycetes	1	Human Feces	Metabolic reconstruction
	Euryarchaeota	1	Human Feces	Metabolic reconstruction
	Crenarchaeota	1	Human Feces	Metabolic reconstruction
Archaea	Crenarchaeota	1
Archaea	Euryarchaeota	3
	Deinococcus-Thermus	1
Archaea		1
NULL	Proteobacteria	2
	Elusimicrobia	1
	Thermotogae	5
NULL	Bacteroidetes	1

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
Human Feces	Detected but not Quantified									HMDB		details

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Noronha A, Modamio J, Jarosz Y, Guerard E, Sompairac N, Preciat G, Danielsdottir AD, Krecke M, Merten D, Haraldsdottir HS, Heinken A, Heirendt L, Magnusdottir S, Ravcheev DA, Sahoo S, Gawron P, Friscioni L, Garcia B, Prendergast M, Puente A, Rodrigues M, Roy A, Rouquaya M, Wiltgen L, Zagare A, John E, Krueger M, Kuperstein I, Zinovyev A, Schneider R, Fleming RMT, Thiele I: The Virtual Metabolic Human database: integrating human and gut microbiome metabolism with nutrition and disease. Nucleic Acids Res. 2019 Jan 8;47(D1):D614-D624. doi: 10.1093/nar/gky992. [PubMed:30371894 ]
Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for 2-Dehydro-3-deoxy-D-gluconate (MMDBc0049977)

MOL for #<Metabolite:0x0000564abfb12e10>

3D MOL for #<Metabolite:0x0000564abfb12e10>

3D SDF for #<Metabolite:0x0000564abfb12e10>

3D-SDF for #<Metabolite:0x0000564abfb12e10>

PDB for #<Metabolite:0x0000564abfb12e10>

3D PDB for #<Metabolite:0x0000564abfb12e10>

SMILES for #<Metabolite:0x0000564abfb12e10>

INCHI for #<Metabolite:0x0000564abfb12e10>

Structure for #<Metabolite:0x0000564abfb12e10>

3D Structure for #<Metabolite:0x0000564abfb12e10>