Structure Database (LMSD)

Common Name
7,7-dimethyl-5Z,8Z,11Z-eicosatrienoic acid
Systematic Name
7,7-dimethyl-5Z,8Z,11Z-eicosatrienoic acid
Synonyms
  • 5,8,11-Eicosatrienoic acid, 7,7-dimethyl-, (Z,Z,Z)-
LM ID
LMFA01020254
Formula
C22H38O2
Exact Mass
Calculate m/z
334.28718
Sum Composition
FA 22:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
RGQNMNYABSHTAV-WLNGKNCPSA-N
InChi (Click to copy)
InChI=1S/C22H38O2/c1-4-5-6-7-8-9-10-11-12-13-16-19-22(2,3)20-17-14-15-18-21(23)24/h11-12,16-17,19-20H,4-10,13-15,18H2,1-3H3,(H,23,24)/b12-11-,19-16-,20-17-
SMILES (Click to copy)
C(CCC/C=C\C(C)(C)/C=C\C/C=C\CCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
3146
PubChem CID
5312332

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 396.18
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.08
Molar Refractivity 105.30

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Created at
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Updated at
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