Showing Compound Albumin (FDB008899)

Record Information

Version

1.0

Creation date

2010-04-08 22:08:18 UTC

Update date

2019-11-26 03:03:23 UTC

Primary ID

FDB008899

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Albumin

Description

Perflutren, a diagnostic drug that is intended to be used for contrast enhancement during the indicated echocardiographic procedures, comprised of lipid-coated microspheres filled with octafluoropropane(OFP) gas. It provide contrast enhancement of the endocardial borders during echocardiography. The perflutren lipid microspheres exhibit lower acoustic impedance than blood and enhance the intrinsic backscatter of blood. Albumin is found in brazil nut, common wheat, and ginger.

CAS Number

76-19-7

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

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Synonym	Source
1,1,1,2,2,3,3,3-Octafluoropropane	ChEBI
1,1,1,2,2,3,3,3-octafluoropropane	biospider
Albumin human	biospider
Albumin, human	biospider
Albuminar-20	biospider
Albuminar-25	biospider
Albuminar-5	biospider
Albumins, human	biospider
Alburx	biospider
Albutein 25% Soln Usp	biospider

Showing 1 to 10 of 44 entries

Predicted Properties

Property	Value	Source
Water Solubility	0.15 g/L	ALOGPS
logP	2.96	ALOGPS
logP	2.78	ChemAxon
logS	-3.1	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	17.54 m³·mol⁻¹	ChemAxon
Polarizability	7.1 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

C3F8

IUPAC name

octafluoropropane

InChI Identifier

InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11

InChI Key

QYSGYZVSCZSLHT-UHFFFAOYSA-N

Isomeric SMILES

FC(F)(F)C(F)(F)C(F)(F)F

Average Molecular Weight

188.0193

Monoisotopic Molecular Weight

187.98722564

Classification

Description

Belongs to the class of organic compounds known as organofluorides. Organofluorides are compounds containing a chemical bond between a carbon atom and a fluorine atom.

Kingdom

Organic compounds

Super Class

Organohalogen compounds

Class

Organofluorides

Sub Class

Not Available

Direct Parent

Organofluorides

Alternative Parents

Substituents

Hydrocarbon derivative
Organofluoride
Alkyl halide
Alkyl fluoride
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

fluorocarbon (CHEBI:31980 )

Ontology

Disposition

Route of exposure:

Enteral:

Ingestion

Source:

Food

Biological:

Plant:

Poaceae

Biological location:

Subcellular:

Biofluid and excreta:

Role

Industrial application:

Pharmaceutical industry:

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

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Property	Value	Reference
Boiling Point	Not Available
Charge	Not Available
Density	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Experimental Water Solubility	Not Available
Isoelectric point	Not Available
Mass Composition	Not Available
Melting Point	Not Available
Optical Rotation	Not Available

Showing 1 to 10 of 14 entries

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	Albumin, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-014i-2900000000-1c4d54db68db7728c485	Spectrum
Predicted GC-MS	Albumin, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0900000000-6b79ae428278352a78b9	2016-08-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0900000000-6b79ae428278352a78b9	2016-08-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-0900000000-6b79ae428278352a78b9	2016-08-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-0900000000-cc191d48d2ad5e868d2a	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000i-0900000000-cc191d48d2ad5e868d2a	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-000i-0900000000-cc191d48d2ad5e868d2a	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0900000000-4604890c23cdb9b72a79	2021-09-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0900000000-4604890c23cdb9b72a79	2021-09-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-0900000000-7b496954f720560a7d22	2021-09-23	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

6192

ChEMBL ID

CHEMBL1663

KEGG Compound ID

Not Available

Pubchem Compound ID

6432

Pubchem Substance ID

Not Available

ChEBI ID

31980

Phenol-Explorer ID

Not Available

DrugBank ID

DB00556

HMDB ID

HMDB14696

CRC / DFC (Dictionary of Food Compounds) ID

Not Available

EAFUS ID

Dr. Duke ID

ALBUMIN

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Not Available

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

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Food	Content Range	Average	Reference

Processing...

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Not Available

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).

Showing Compound Albumin (FDB008899)

Structure for FDB008899 (Albumin)