Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-12-10 18:52:44 UTC
Update Date2024-04-30 19:33:32 UTC
Metabolite IDMMDBc0000687
Metabolite Identification
Common NameDocosadienoate (22:2n6)
Description(13Z,16Z)-Docosadienoic acid, also known as docosadienoate or C22:2N-6,9, 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. (13Z,16Z)-Docosadienoic acid is a very hydrophobic molecule that is practically insoluble (in water) and is relatively neutral. (13Z,16Z)-Docosadienoic acid can be found in feces.
Structure
Synonyms
ValueSource
(13Z,16Z)-Docosa-13,16-dienoic acidChEBI
13Z,16Z-Docosadienoic acidChEBI
C22:2N-6,9ChEBI
cis-13,16 Docosadienoic acidChEBI
(13Z,16Z)-Docosa-13,16-dienoateGenerator
13Z,16Z-DocosadienoateGenerator
cis-13,16 DocosadienoateGenerator
(13Z,16Z)-DocosadienoateGenerator
(13Z,16Z)-13,16-DocosadienoateHMDB
(13Z,16Z)-13,16-Docosadienoic acidHMDB
(13Z,16Z)-Docosadienoic acidHMDB
DocosadienoateHMDB
Docosadienoic acidHMDB
FA(22:2(13Z,16Z))HMDB
FA(22:2n6)HMDB
all-cis-13,16-DocosadienoateHMDB
all-cis-13,16-Docosadienoic acidHMDB
cis-13,cis-16-DocosadienoateHMDB
cis-13,cis-16-Docosadienoic acidHMDB
Molecular FormulaC22H40O2
Average Mass336.56
Monoisotopic Mass336.302830528
IUPAC Name(13Z,16Z)-docosa-13,16-dienoic acid
Traditional Name13,16-docosadienoic acid
CAS Registry NumberNot Available
SMILES
CCCCC\C=C/C\C=C/CCCCCCCCCCCC(O)=O
InChI Identifier
InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9-
InChI KeyHVGRZDASOHMCSK-HZJYTTRNSA-N