MiMeDB: Showing metabocard for Benzophenone (MMDBc0014480)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 05:29:30 UTC

Update Date

2022-08-31 06:37:44 UTC

Metabolite ID

MMDBc0014480

Metabolite Identification

Common Name

Benzophenone

Description

Benzophenone is the organic compound with the formula (C6H5)2CO, generally abbreviated Ph2CO. It is a widely used building block in organic chemistry, being the parent diarylketone. Benzophenone is found in fruits. Benzophenone is present in grapes and it is also used as a flavouring agent. Benzophenone is a common photosensitizer in photochemistry. It crosses from the S1 state into the triplet state with nearly 100% yield. The resulting diradical will abstract a hydrogen atom from a suitable hydrogen donor to form a ketyl radical.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₁₃H₁₀O

Average Mass

182.2179

Monoisotopic Mass

182.073164942

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChI Key

RWCCWEUUXYIKHB-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

Feces
Saliva
Urine

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
Bacteria	Actinobacteria	1		Metabolic reconstruction
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	0.0141	0.0110	0.0181	Adult (>18 years old)	Not Specified	Normal	HMDB	National Health and Nutrition Examination Survey (NHANES Survey) 2013
Human	Detected and Quantified	0.0160	0.0121	0.0212	Children (1-13 years old)	Not Specified	Normal	HMDB	National Health and Nutrition Examination Survey (NHANES Survey) 2013
Human Saliva	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	20809147
Human Saliva	Detected but not Quantified				Adult (>18 years old)	Not Specified	Normal	HMDB	24421258
Human Feces	Detected but not Quantified				Adult (>18 years old)	Not Specified	Normal	HMDB	21494609

External Links

Not Available

General References

Vigorita MG, Previtera T, Trovato A, Monforte MT, Barbera R, Bisignano G: N-trifluoroacetyl derivatives as pharmacological agents. IV--Antiinflammatory and related properties; antimicrobial activity of some polyaromatic trifluoroacetamides. Farmaco. 1989 Feb;44(2):173-84. [PubMed:2775414 ]
Yannai, Shmuel (2004). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. Boca Raton: Chapman & Hall/CRC..

Showing metabocard for Benzophenone (MMDBc0014480)

MOL for #<Metabolite:0x00007f12409b8508>

3D MOL for #<Metabolite:0x00007f12409b8508>

3D SDF for #<Metabolite:0x00007f12409b8508>

3D-SDF for #<Metabolite:0x00007f12409b8508>

PDB for #<Metabolite:0x00007f12409b8508>

3D PDB for #<Metabolite:0x00007f12409b8508>

SMILES for #<Metabolite:0x00007f12409b8508>

INCHI for #<Metabolite:0x00007f12409b8508>

Structure for #<Metabolite:0x00007f12409b8508>

3D Structure for #<Metabolite:0x00007f12409b8508>