Structure Database (LMSD)
Common Name
9E-pentadecenoic acid
Systematic Name
9E-pentadecenoic acid
Synonyms
3D model of 9E-pentadecenoic 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
String Representations
InChiKey (Click to copy)
DJCQJZKZUCHHAL-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h6-7H,2-5,8-14H2,1H3,(H,16,17)/b7-6+
SMILES (Click to copy)
C(CCCCCCC/C=C/CCCCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
280.36
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.94
Molar Refractivity
73.24
Admin
Created at
19th Jul 2023
Updated at
19th Jul 2023