Structure Database (LMSD)
Systematic Name
12Z,16-heptadecadienoic acid
Synonyms
3D model of
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
Cellana toreuma
(#42758)
Gastropoda
(#6448)
Identification and Total Synthesis of Two Previously Unreported Odd-Chain Bis-Methylene-Interrupted Fatty Acids with a Terminal Olefin that Activate Protein Phosphatase, Mg2+/Mn2+-Dependent 1A (PPM1A) in Ovaries of the Limpet Cellana toreuma.,
Mar Drugs, 2019
Mar Drugs, 2019
Pubmed ID:
31336763
DOI:
10.3390/md17070410
String Representations
InChiKey (Click to copy)
DJPJIMVUISFALP-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2,5-6H,1,3-4,7-16H2,(H,18,19)/b6-5-
SMILES (Click to copy)
C(CCCCCCCCCC/C=C\CCC=C)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
312.32
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.49
Molar Refractivity
82.38
Admin
Created at
26th Feb 2021
Updated at
25th Apr 2022