P. aeruginosa Metabolome Database: sterone-ring (PAMDB110296)

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

PAMDB110296

Identification

Name:

sterone-ring

Description:

Not Available

Structure

🔍MOL SDF PDB SMILES InChI View Structure

Synonyms:

Not Available

Chemical Formula:

C₁₇H₂₈

Average Molecular Weight:

232.41

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:

C3(CCC2(C4(CCC1(CCCC1C(CCC2C3)4))))

Chemical Taxonomy

Taxonomy Description

This compound belongs to the class of organic compounds known as steroids and steroid derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Not Available

Direct Parent

Steroids and steroid derivatives

Alternative Parents

Substituents

Steroid
Polycyclic hydrocarbon
Saturated hydrocarbon
Hydrocarbon
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

a ring (STERONE-RING)

Physical Properties

State:

Not Available

Charge:

Not Available

Melting point:

Not Available

Experimental Properties:

Not Available

Predicted Properties

Property	Value	Source
Mass	232.4035	ChemAxon
logP	5.0291	ChemAxon
H-bond acceptors	0	ChemAxon
H-bond donors	0	ChemAxon
Rotatable bonds	0	ChemAxon
PSA	0	ChemAxon
RO5 violations	1	ChemAxon
RO3 violations	1	ChemAxon
Refractivity	75.3770	ChemAxon
Atoms	45	ChemAxon
Rings	4	ChemAxon
Heavy atoms	17	ChemAxon
Hydrogen atoms	28	ChemAxon
Heteroatoms	0	ChemAxon
N/O atoms	0	ChemAxon
Inorganic atoms	0	ChemAxon
Halogen atoms	0	ChemAxon
Chiral centers	6	ChemAxon
R/S chiral centers	0	ChemAxon
Unknown chiral centers	0	ChemAxon
Undefined chiral centers	6	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	STERONE-RING

sterone-ring (PAMDB110296)

Structure for sterone-ring (PAMDB110296)