MiMeDB: Showing metabocard for Demethylmenaquinol (MMDBc0031921)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:55:03 UTC

Update Date

2022-08-31 18:26:26 UTC

MiMeDB ID

MMDBc0031921

Metabolite Identification

Common Name

Demethylmenaquinol

Description

Demethylmenaquinol is an intermediate in nitrate respiration in E.coli. It is a substrate for the enzyme nitrate reductase A (NarGHI) (PMID: 25976528 ).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

(C₅H₈)nC₁₅H₁₆O₂

Average Molecular Weight

Not Available

Monoisotopic Molecular Weight

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C20H24O2/c1-14(2)7-6-8-15(3)11-12-16-13-19(21)17-9-4-5-10-18(17)20(16)22/h4-5,7,9-11,13,21-22H,6,8,12H2,1-3H3/b15-11+

InChI Key

WASWRHBQWJCLSQ-RVDMUPIBSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as prenylated hydroquinones. These are quinones with a structure characterized by the hydroquinone ring substituted by an prenyl side-chain.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Quinone and hydroquinone lipids

Direct Parent

Prenylated hydroquinones

Alternative Parents

Substituents

Prenylbenzoquinol
1-naphthol
Naphthalene
Monoterpenoid
Bicyclic monoterpenoid
Aromatic monoterpenoid
Hydroquinone
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

Not Available

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

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
	Proteobacteria	1	Human	Unknown

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

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

C19847

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

56928124

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Sajed T, Marcu A, Ramirez M, Pon A, Guo AC, Knox C, Wilson M, Grant JR, Djoumbou Y, Wishart DS: ECMDB 2.0: A richer resource for understanding the biochemistry of E. coli. Nucleic Acids Res. 2016 Jan 4;44(D1):D495-501. doi: 10.1093/nar/gkv1060. Epub 2015 Oct 19. [PubMed:26481353 ]

Showing metabocard for Demethylmenaquinol (MMDBc0031921)

MOL for #<Metabolite:0x000055b76dff0c38>

3D MOL for #<Metabolite:0x000055b76dff0c38>

3D SDF for #<Metabolite:0x000055b76dff0c38>

3D-SDF for #<Metabolite:0x000055b76dff0c38>

PDB for #<Metabolite:0x000055b76dff0c38>

3D PDB for #<Metabolite:0x000055b76dff0c38>

SMILES for #<Metabolite:0x000055b76dff0c38>

INCHI for #<Metabolite:0x000055b76dff0c38>

Structure for #<Metabolite:0x000055b76dff0c38>

3D Structure for #<Metabolite:0x000055b76dff0c38>