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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2023-03-30 20:53:45 UTC

Update Date

2023-03-30 20:53:45 UTC

HMDB ID

HMDB0341507

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Di-p-cresylphosphate

Description

Di-p-cresylphosphate belongs to the class of organic compounds known as aryl phosphodiesters. These are aryl phosphates in which the phosphate is esterified at exactly two positions. Based on a literature review a significant number of articles have been published on Di-p-cresylphosphate.

Structure

MOL SDF PDB SMILES InChI

View in JSmol View Stereo Labels

Synonyms

Value	Source
Di-p-cresylphosphoric acid	Generator

Chemical Formula

C₁₄H₁₄O₄P

Average Molecular Weight

277.236

Monoisotopic Molecular Weight

277.063519509

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

PLUDEAUQZKPAIN-UHFFFAOYSA-M

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aryl phosphodiesters. These are aryl phosphates in which the phosphate is esterified at exactly two positions.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic phosphoric acids and derivatives

Sub Class

Phosphate esters

Direct Parent

Aryl phosphodiesters

Alternative Parents

Substituents

Aryl phosphodiester
Phenoxy compound
Toluene
Benzenoid
Monocyclic benzene moiety
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organic anion
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Not Available

Predicted Chromatographic Properties

Predicted Retention Times

Not Available

Predicted Kovats Retention Indices

Not Available

Spectra

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

4895954

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6365129

PDB ID

Not Available

ChEBI ID

166467

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Di-p-cresylphosphate (HMDB0341507)

MOL for HMDB0341507 (Di-p-cresylphosphate)

3D MOL for HMDB0341507 (Di-p-cresylphosphate)

3D SDF for HMDB0341507 (Di-p-cresylphosphate)

3D-SDF for HMDB0341507 (Di-p-cresylphosphate)

PDB for HMDB0341507 (Di-p-cresylphosphate)

3D PDB for HMDB0341507 (Di-p-cresylphosphate)

SMILES for HMDB0341507 (Di-p-cresylphosphate)

INCHI for HMDB0341507 (Di-p-cresylphosphate)

Structure for HMDB0341507 (Di-p-cresylphosphate)

3D Structure for HMDB0341507 (Di-p-cresylphosphate)

Predicted Retention Times

Predicted Kovats Retention Indices