Structure Database (LMSD)
Common Name
7Z-docosenoic acid
Systematic Name
7Z-docosenoic acid
Synonyms
- C22:1n-15
- 22:1(7Z)
3D model of 7Z-docosenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Hippoglossoides dubius
(#235072)
Actinopteri
(#186623)
Gas chromatographic separation of docosenoic acid positional isomers on an SLB-IL100 ionic liquid column.,
J Oleo Sci, 2012
J Oleo Sci, 2012
Pubmed ID:
22864512
Siphonaria denticulata
(#190183)
Gastropoda
(#6448)
Identification and total synthesis of novel fatty acids from the Siphonarid limpet Siphonaria denticulata.,
J Nat Prod, 2001
J Nat Prod, 2001
Pubmed ID:
11720525
String Representations
InChiKey (Click to copy)
GPGDDEFYMGSXQS-NXVVXOECSA-N
InChi (Click to copy)
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h15-16H,2-14,17-21H2,1H3,(H,23,24)/b16-15-
SMILES (Click to copy)
C(CCCCC/C=C\CCCCCCCCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
401.46
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.67
Molar Refractivity
105.56
Admin
Created at
-
Updated at
7th Nov 2023