Structure Database (LMSD)

O O OH
Common Name
Etherolenic acid
Systematic Name
12-(1'E,3'Z-Hexadienyloxy)-9Z,11E-dodecadienoic acid
Synonyms
LM ID
LMFA10000003
Formula
C18H28O3
Exact Mass
Calculate m/z
292.203845
Sum Composition
FA 18:4;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty ethers [FA10]

String Representations

InChiKey (Click to copy)
QWRJRLCIDLDGLM-GTTHPXIQSA-N
InChi (Click to copy)
InChI=1S/C18H28O3/c1-2-3-4-13-16-21-17-14-11-9-7-5-6-8-10-12-15-18(19)20/h3-4,9,11,13-14,16-17H,2,5-8,10,12,15H2,1H3,(H,19,20)/b4-3-,11-9-,16-13+,17-14+
SMILES (Click to copy)
C(CCCCCCC/C=C\C=C\O/C=C/C=C\CC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ranunculus acris (#3447)
Magnoliopsida (#3398)
A pathway for biosynthesis of divinyl ether fatty acids in green leaves.,
Lipids, 1998
Pubmed ID: 9870900

Other Databases

KEGG ID
C16319
CHEBI ID
80443
PubChem CID
23724709
Cayman ID
10005123

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 333.13
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.37
Molar Refractivity 87.89

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Created at
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Updated at
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