Structure Database (LMSD)

O O
Common Name
Gondoyl-linolenate
Systematic Name
11Z-eicosenyl 9Z,12Z,15Z-octadecatrienoate
Synonyms
  • WE(20:1(11Z)/18:3(9Z,12Z,15Z))
LM ID
LMFA07010686
Formula
C40H72O2
Exact Mass
Calculate m/z
584.55323
Sum Composition
WE 40:4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
VENRANXIYUDIIM-PMDIKQDQSA-N
InChi (Click to copy)
InChI=1S/C40H72O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20-21,24H,3-5,7,9-11,13,15-17,19,22-23,25-39H2,1-2H3/b8-6-,14-12-,21-20-,24-18-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\C/C=C\C/C=C\CC)OCCCCCCCCCC/C=C\CCCCCCCCCC

References

Other Databases

CHEBI ID
187550
PubChem CID
73242175

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 704.94
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 14.00
Molar Refractivity 188.63

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Created at
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Updated at
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