MiMeDB: Showing metabocard for Ethylbenzene (MMDBc0048007)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-04-19 21:49:33 UTC

Update Date

2022-09-01 02:13:51 UTC

Metabolite ID

MMDBc0048007

Metabolite Identification

Common Name

Ethylbenzene

Description

Ethylbenzene belongs to the family of Substituted Benzenes. These are aromatic compounds containing a benzene substituted at one or more positions.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₈H₁₀

Average Mass

106.165

Monoisotopic Mass

106.07825032

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChI Key

YNQLUTRBYVCPMQ-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Blood
Breath
Feces

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

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated 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
Eukaryota/Fungi	Ascomycota	1	Human feces	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Min	Max	Age	Sex	Health Condition	Data Source	Reference
Human	Detected and Quantified	0.000301	0.000283	0.000320	Children (1-13 years old)	Not Specified	Normal	HMDB	National Health and Nutrition Examination Survey (NHANES Survey) 2013
Human	Detected and Quantified	0.000377	0.000349	0.000405	Adult (>18 years old)	Not Specified	Normal	HMDB	National Health and Nutrition Examination Survey (NHANES Survey) 2013
Human	Detected and Quantified		0.00098	0.0012	Not Specified	Both	Ethylbenzene Exposure	HMDB	National Health and Nutrition Examination Survey (NHANES Survey) 2019
Human	Detected and Quantified		0.00092	0.0013	Not Specified	Both	Ethylbenzene Exposure	HMDB	National Health and Nutrition Examination Survey (NHANES Survey) 2019
Human	Detected and Quantified		0.00096	0.0012	Not Specified	Both	Ethylbenzene Exposure	HMDB	National Health and Nutrition Examination Survey (NHANES Survey) 2019
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	17314143
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	19167006
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	21280206
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	21280206
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	21280206
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	23454028
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	26806034
Human Breath	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	24086492

External Links

Not Available

General References

Wishart DS, Guo A, Oler E, Wang F, Anjum A, Peters H, Dizon R, Sayeeda Z, Tian S, Lee BL, Berjanskii M, Mah R, Yamamoto M, Jovel J, Torres-Calzada C, Hiebert-Giesbrecht M, Lui VW, Varshavi D, Varshavi D, Allen D, Arndt D, Khetarpal N, Sivakumaran A, Harford K, Sanford S, Yee K, Cao X, Budinski Z, Liigand J, Zhang L, Zheng J, Mandal R, Karu N, Dambrova M, Schioth HB, Greiner R, Gautam V: HMDB 5.0: the Human Metabolome Database for 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D622-D631. doi: 10.1093/nar/gkab1062. [PubMed:34986597 ]

Showing metabocard for Ethylbenzene (MMDBc0048007)

MOL for #<Metabolite:0x0000560be06314f0>

3D MOL for #<Metabolite:0x0000560be06314f0>

3D SDF for #<Metabolite:0x0000560be06314f0>

3D-SDF for #<Metabolite:0x0000560be06314f0>

PDB for #<Metabolite:0x0000560be06314f0>

3D PDB for #<Metabolite:0x0000560be06314f0>

SMILES for #<Metabolite:0x0000560be06314f0>

INCHI for #<Metabolite:0x0000560be06314f0>

Structure for #<Metabolite:0x0000560be06314f0>

3D Structure for #<Metabolite:0x0000560be06314f0>