P. aeruginosa Metabolome Database: another strange group (PAMDB110289)

Identification Taxonomy Physical Properties Biological Properties Spectra Concentrations Links References Enzymes Transporters

Proteins (3280)

Record Information

Version

1.0

Update Date

1/22/2018 11:54:54 AM

Metabolite ID

PAMDB110289

Identification

Name:

another strange group

Description:

Not Available

Structure

🔍MOL SDF PDB SMILES InChI View Structure

Synonyms:

Not Available

Chemical Formula:

CH₈NOP

Average Molecular Weight:

77.022

Monoisotopic Molecular Weight:

Not Available

InChI Key:

Not Available

InChI:

Not Available

CAS number:

Not Available

IUPAC Name:

Not Available

Traditional IUPAC Name:

Not Available

SMILES:

C(P)(N)O

Chemical Taxonomy

Taxonomy Description

This compound belongs to the class of organic compounds known as alkanolamines. These are organic compounds that carry a hydroxy and an amino functional groups on an alkane backbone.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

Alkanolamines

Alternative Parents

Substituents

Alkanolamine
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Organophosphorus compound
Organooxygen compound
Primary aliphatic amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Physical Properties

State:

Not Available

Charge:

Not Available

Melting point:

Not Available

Experimental Properties:

Not Available

Predicted Properties

Property	Value	Source
Mass	79.0385	ChemAxon
logP	-0.2036	ChemAxon
H-bond acceptors	2	ChemAxon
H-bond donors	2	ChemAxon
Rotatable bonds	0	ChemAxon
PSA	59.8400	ChemAxon
RO5 violations	0	ChemAxon
RO3 violations	0	ChemAxon
Refractivity	19.4432	ChemAxon
Atoms	10	ChemAxon
Rings	0	ChemAxon
Heavy atoms	4	ChemAxon
Hydrogen atoms	6	ChemAxon
Heteroatoms	3	ChemAxon
N/O atoms	2	ChemAxon
Inorganic atoms	0	ChemAxon
Halogen atoms	0	ChemAxon
Chiral centers	1	ChemAxon
R/S chiral centers	0	ChemAxon
Unknown chiral centers	0	ChemAxon
Undefined chiral centers	1	ChemAxon
Stereo double bonds	0	ChemAxon
Cis/trans stereo double bonds	0	ChemAxon
Unknown stereo double bonds	0	ChemAxon
Undefined stereo double bonds	0	ChemAxon

Biological Properties

Cellular Locations:

Not Available

Reactions:

Pathways:

Spectra

Spectra:

Not Available

References

References:

Not Available

Synthesis Reference:

Not Available

Material Safety Data Sheet (MSDS)

Not Available

Links

External Links:

Resource	Link
PseudoCyc	ANOTHER-STRANGE-GROUP

another strange group (PAMDB110289)

Structure for another strange group (PAMDB110289)