Structure Database (LMSD)
Common Name
Thalictric acid
Systematic Name
5E-octadecenoic acid
Synonyms
- trans-5-octadecenoic acid
- C18:1n-13
- 5E-octadecylenic acid
3D model of Thalictric 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)
AQWHMKSIVLSRNY-BUHFOSPRSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-14H,2-12,15-17H2,1H3,(H,19,20)/b14-13+
SMILES (Click to copy)
C(CCCCCCCC)CCC/C=C/CCCC(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Thalictrum polycarpum
(#1084687)
Magnoliopsida
(#3398)
Thalictrum polycarpum fatty acids--a new class of fatty acids from vegetable seed oils.,
Biochemistry, 1962
Biochemistry, 1962
Pubmed ID:
13863901
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
332.26
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.11
Molar Refractivity
87.09
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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Admin
Created at
-
Updated at
25th Apr 2022