Structure Database (LMSD)

Common Name
8-methoxy-13-hydroxy-9,11-octadecadienoic acid
Systematic Name
8-methoxy-13-hydroxy-9,11-octadecadienoic acid
Synonyms
LM ID
LMFA01080002
Formula
C19H34O4
Exact Mass
Calculate m/z
326.24571
Sum Composition
FA 19:2;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Methoxy fatty acids [FA0108]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
FPDXRJMUHIDIMS-FVIOEUFFSA-N
InChi (Click to copy)
InChI=1S/C19H34O4/c1-3-4-7-12-17(20)13-10-11-15-18(23-2)14-8-5-6-9-16-19(21)22/h10-11,13,15,17-18,20H,3-9,12,14,16H2,1-2H3,(H,21,22)/b13-10+,15-11+
SMILES (Click to copy)
C(/C=C/C(O)CCCCC)=C\C(OC)CCCCCCC(=O)O

Other Databases

CHEBI ID
165424
LIPIDBANK ID
DFA8033
PubChem CID
5283022

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 364.50
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.05
Molar Refractivity 95.59

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Created at
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Updated at
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