MiMeDB: Showing metabocard for 2,8-Quinolinediol (MMDBc0000719)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:53:28 UTC

Update Date

2022-08-31 06:11:34 UTC

MiMeDB ID

MMDBc0000719

Metabolite Identification

Common Name

2,8-Quinolinediol

Description

2,8-Quinolinediol, also known as quinoline-2,8-diol or 8-hydroxycarbostyril, belongs to the class of organic compounds known as quinolones and derivatives. Quinolones and derivatives are compounds containing a quinoline moiety that bears a ketone group. 2,8-Quinolinediol has been identified in urine (PMID: 30089834 ).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₇NO₂

Average Molecular Weight

161.16

Monoisotopic Molecular Weight

161.047678469

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C9H7NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-5,11H,(H,10,12)

InChI Key

ZXZKYYHTWHJHFT-UHFFFAOYSA-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

Blood
Feces
Urine

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

Not Available

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
	Euryarchaeota	1	Human Feces	Indirect association between microbiota composition and metabolites measured in host biospecimen

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

Host and Biospecimen	Status	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified	Adult (>18 years old)	Both	Normal	HMDB	29808030	details
Human Urine	Detected but not Quantified	Adult (>18 years old)	Both	Normal	HMDB	30089834	details
Human	Detected but not Quantified				HMDB		details

External Links

Not Available

References

Synthesis Reference

Not Available

General References

Fan S, Yeon A, Shahid M, Anger JT, Eilber KS, Fiehn O, Kim J: Sex-associated differences in baseline urinary metabolites of healthy adults. Sci Rep. 2018 Aug 8;8(1):11883. doi: 10.1038/s41598-018-29592-3. [PubMed:30089834 ]

Showing metabocard for 2,8-Quinolinediol (MMDBc0000719)

MOL for #<Metabolite:0x000055b76e10c518>

3D MOL for #<Metabolite:0x000055b76e10c518>

3D SDF for #<Metabolite:0x000055b76e10c518>

3D-SDF for #<Metabolite:0x000055b76e10c518>

PDB for #<Metabolite:0x000055b76e10c518>

3D PDB for #<Metabolite:0x000055b76e10c518>

SMILES for #<Metabolite:0x000055b76e10c518>

INCHI for #<Metabolite:0x000055b76e10c518>

Structure for #<Metabolite:0x000055b76e10c518>

3D Structure for #<Metabolite:0x000055b76e10c518>