P. aeruginosa Metabolome Database: porphyrin-ring (PAMDB110303)

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

PAMDB110303

Identification

Name:

porphyrin-ring

Description:

Not Available

Structure

🔍MOL SDF PDB SMILES InChI View Structure

Synonyms:

Not Available

Chemical Formula:

C₂₀H₁₂N₄

Average Molecular Weight:

308.34

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:

C5(=CC4(=CC1(=NC(C=C1)=CC2(C=CC(N=2)=CC3(=NC(C=C3)=CC(=N4)5)))))

Chemical Taxonomy

Taxonomy Description

This compound belongs to the class of organic compounds known as porphyrins. These are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Tetrapyrroles and derivatives

Sub Class

Porphyrins

Direct Parent

Porphyrins

Alternative Parents

Substituents

Porphyrin
Heteroaromatic compound
Pyrrole
Azacycle
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

a ring (PORPHYRIN-RING)

Physical Properties

State:

Not Available

Charge:

Not Available

Melting point:

Not Available

Experimental Properties:

Not Available

Predicted Properties

Property	Value	Source
Mass	308.3351	ChemAxon
logP	1.3212	ChemAxon
H-bond acceptors	4	ChemAxon
H-bond donors	0	ChemAxon
Rotatable bonds	0	ChemAxon
PSA	49.4400	ChemAxon
RO5 violations	0	ChemAxon
RO3 violations	2	ChemAxon
Refractivity	111.9360	ChemAxon
Atoms	36	ChemAxon
Rings	5	ChemAxon
Heavy atoms	24	ChemAxon
Hydrogen atoms	12	ChemAxon
Heteroatoms	4	ChemAxon
N/O atoms	4	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	8	ChemAxon
Cis/trans stereo double bonds	4	ChemAxon
Unknown stereo double bonds	4	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	PORPHYRIN-RING

porphyrin-ring (PAMDB110303)

Structure for porphyrin-ring (PAMDB110303)