Structure Database (LMSD)
Common Name
12,14-Heptacosadiynoic acid
Systematic Name
12,14-Heptacosadiynoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 12,14-Heptacosadiynoic 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)
WFKKPVSAXVSKCE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h2-12,17-26H2,1H3,(H,28,29)
SMILES (Click to copy)
C(CCCCCCCCCCC#CC#CCCCCCCCCCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
480.04
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
8.29
Molar Refractivity
125.82
Reactions
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Admin
Created at
-
Updated at
25th Apr 2022