Structure Database (LMSD)

Common Name
Phlomic acid
Systematic Name
Eicosa-7,8-dienoic acid
Synonyms
LM ID
LMFA01031038
Status
Active
Exact Mass
Calculate m/z
308.27153
Formula
C20H36O2
Abbrev
FA 20:2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
IDIFLXHHWAEGTC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h12,14H,2-11,15-19H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCCCCC=C=CCCCCCCCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lamiaceae (#4136)
Magnoliopsida (#3398)
A New Allenic Fatty Acid in Phlomis (Lamiaceae) Seed Oil,
Lipid / Fett, 2006

Other Databases

PubChem CID
102066359
PlantFA ID
10137

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 364.22
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.65
Molar Refractivity 95.22

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Updated at
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