Structure Database (LMSD)
Common Name
9Z-docosenoic acid
Systematic Name
9Z-docosenoic acid
Synonyms
- C22:1n-13
- 22:1(9Z)
3D model of 9Z-docosenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IABRXGNOPGPXAW-YPKPFQOOSA-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/h13-14H,2-12,15-21H2,1H3,(H,23,24)/b14-13-
SMILES (Click to copy)
C(CCCCCCC/C=C\CCCCCCCCCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
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
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
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
Reactions
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Admin
Created at
-
Updated at
7th Nov 2023