Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-12-10 18:50:37 UTC
Update Date2024-04-30 19:33:10 UTC
Metabolite IDMMDBc0000590
Metabolite Identification
Common Name1,11-Undecanedicarboxylic acid
Description1,11-Undecanedicarboxylic acid, also known as 1,13-tridecanedioic acid or brassilic acid, 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. 1,11-Undecanedicarboxylic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.
Structure
Synonyms
ValueSource
1,13-Tridecanedioic acidChEBI
Brassilic acidChEBI
Brassylic acidChEBI
Undecane-1,11-dicarboxylic acidChEBI
1,13-TridecanedioateGenerator
BrassilateGenerator
BrassylateGenerator
Undecane-1,11-dicarboxylateGenerator
1,11-UndecanedicarboxylateGenerator
TridecanedioateHMDB
Tridecanedioic acidHMDB, MeSH
Tridecanedioic acid, monosodium saltMeSH, HMDB
Tridecanedioic acid, disodium saltMeSH, HMDB
1,11-Undecanedicarboxylic acidChEBI
Molecular FormulaC13H24O4
Average Mass244.3273
Monoisotopic Mass244.167459256
IUPAC Nametridecanedioic acid
Traditional Namebrassylic acid
CAS Registry NumberNot Available
SMILES
OC(=O)CCCCCCCCCCCC(O)=O
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 KeyDXNCZXXFRKPEPY-UHFFFAOYSA-N