FComEx: 1,11-Undecanedicarboxylic acid (PC000681)

Record Information

Version

1.0

Creation date

2015-10-09 22:31:56 UTC

Update date

2017-01-19 02:36:32 UTC

FoodComEx ID

PC000681

FoodDB Record

FDB022963

Chemical Information

Name

1,11-Undecanedicarboxylic acid

Description

Undecanedicarboxylic acid is an unusual odd-numbered dicarboxylic acid that appears in the urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome, as an additional marker of these peroxisomal disorders. (PMID: 2943344) [HMDB]

CAS Number

505-52-2

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
1,11-Undecanedicarboxylate	hmdb
1,13-Tridecanedioate	hmdb
1,13-Tridecanedioic acid	hmdb
Brassilate	hmdb
Brassilic acid	hmdb
Brassylate	hmdb
Brassylic acid	hmdb
Tridecanedioate	hmdb
Tridecanedioic acid	hmdb
Undecane-1,11-dicarboxylate	hmdb
Undecane-1,11-dicarboxylic acid	hmdb

Chemical Formula

C13H24O4

IUPAC name

tridecanedioic acid

InChI Identifier

InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)

InChI Key

DXNCZXXFRKPEPY-UHFFFAOYSA-N

Isomeric SMILES

OC(=O)CCCCCCCCCCCC(O)=O

Average Molecular Weight

244.3273

Monoisotopic Molecular Weight

244.167459256

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Long-chain fatty acids

Alternative Parents

Substituents