FComEx: Behenic acid (PC000183)

Record Information

Version

1.0

Creation date

2015-10-09 22:29:05 UTC

Update date

2017-01-19 02:36:15 UTC

FoodComEx ID

PC000183

FoodDB Record

Not Available

Chemical Information

Name

Behenic acid

Description

Behenic acid (also docosanoic acid) is a normal carboxylic acid, the saturated fatty acid with formula C21H43COOH. In appearance, it consists of white to cream color crystals or powder with a melting point of 80°C and boiling point of 306°C. Behenic acid is found in many foods, some of which are macadamia nut, opium poppy, tamarind, and black elderberry.

CAS Number

112-85-6

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
1-Docosanoate	Generator
1-Docosanoic acid	ChEBI
b 95	HMDB
Behenate	Generator
Behensaeure	ChEBI
CH3-[CH2]20-COOH	ChEBI
Docosanate	Generator
Docosanic acid	ChEBI
Docosanoate	ChEBI
Docosansaeure	ChEBI
Docosoate	Generator
Docosoic acid	ChEBI
Dokosansaeure	ChEBI
Edenor C 22-85R	HMDB
EXL 5	HMDB
Glycon b 70	HMDB
Hydrofol 2022-55	HMDB
Hydrofol acid 560	HMDB
N-Docosanoate	Generator
N-Docosanoic acid	ChEBI
Prifac 2987	HMDB

Chemical Formula

Not Available

IUPAC name

Not Available

InChI Identifier

InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)

InChI Key

UKMSUNONTOPOIO-UHFFFAOYSA-N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(O)=O

Average Molecular Weight

340.5836

Monoisotopic Molecular Weight

340.334130652

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Very long-chain fatty acids

Alternative Parents