P. aeruginosa Metabolome Database: adenine-ring (PAMDB110302)

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

PAMDB110302

Identification

Name:

adenine-ring

Description:

Not Available

Structure

🔍MOL SDF PDB SMILES InChI View Structure

Synonyms:

Not Available

Chemical Formula:

C₅H₅N₅

Average Molecular Weight:

135.13

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:

C1(=NC2(C(N1)=C(N=CN=2)N))

Chemical Taxonomy

Taxonomy Description

This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Imidazopyrimidines

Sub Class

Purines and purine derivatives

Direct Parent

6-aminopurines

Alternative Parents

Substituents

6-aminopurine
Aminopyrimidine
Imidolactam
Pyrimidine
Heteroaromatic compound
Imidazole
Azole
Azacycle
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Organonitrogen compound
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

6-aminopurines, purine nucleobase (CHEBI:16708)
a ring (ADENINE-RING)
purines (C00147)

Physical Properties

State:

Not Available

Charge:

Not Available

Melting point:

Not Available

Experimental Properties:

Not Available

Predicted Properties

Property	Value	Source
Mass	135.1272	ChemAxon
logP	0.5163	ChemAxon
H-bond acceptors	5	ChemAxon
H-bond donors	2	ChemAxon
Rotatable bonds	0	ChemAxon
PSA	80.4800	ChemAxon
RO5 violations	0	ChemAxon
RO3 violations	2	ChemAxon
Refractivity	36.0881	ChemAxon
Atoms	15	ChemAxon
Rings	2	ChemAxon
Heavy atoms	10	ChemAxon
Hydrogen atoms	5	ChemAxon
Heteroatoms	5	ChemAxon
N/O atoms	5	ChemAxon
Inorganic atoms	0	ChemAxon
Halogen atoms	0	ChemAxon
Chiral centers	0	ChemAxon
R/S chiral centers	0	ChemAxon
Unknown chiral centers	0	ChemAxon
Undefined chiral centers	0	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	ADENINE-RING

adenine-ring (PAMDB110302)

Structure for adenine-ring (PAMDB110302)