Structure Database (LMSD)
Common Name
5Z,8Z,11Z-Eicosatrienedioic acid
Systematic Name
5Z,8Z,11Z-Eicosatrienedioic acid
Synonyms
- 5Z,8Z,11Z-Eicosatriene-1,20-dioic acid
LM ID
LMFA01170128
Formula
Exact Mass
Calculate m/z
336.23006
Sum Composition
Status
Active
3D model of 5Z,8Z,11Z-Eicosatrienedioic 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
String Representations
InChiKey (Click to copy)
XXBTWFRPYVFWSA-USRXDSLMSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1,3,7,9-10,12H,2,4-6,8,11,13-18H2,(H,21,22)(H,23,24)/b3-1-,9-7-,12-10-
SMILES (Click to copy)
C(CCC/C=C\CCCC/C=C\C/C=C\CCCCC(O)=O)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
376.52
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
5.51
Molar Refractivity
98.10
Admin
Created at
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Updated at
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