Structure Database (LMSD)

Common Name
7(S)-methoxy-dodedec-4E-enoic acid
Systematic Name
7(S)-methoxy-dodedec-4E-enoic acid
Synonyms
LM ID
LMFA01080033
Formula
C13H24O3
Exact Mass
Calculate m/z
228.172545
Sum Composition
FA 13:1;O
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lyngbya majuscula (#158786)
Cyanophyceae (#3028117)
New advances in the chemistry of methoxylated lipids.,
Prog Lipid Res, 2002
Pubmed ID: 12169299

String Representations

InChiKey (Click to copy)
KBMNVOKQUUZFOO-PZBABLGHSA-N
InChi (Click to copy)
InChI=1S/C13H24O3/c1-3-4-6-9-12(16-2)10-7-5-8-11-13(14)15/h5,7,12H,3-4,6,8-11H2,1-2H3,(H,14,15)/b7-5+/t12-/m0/s1
SMILES (Click to copy)
C(CC)CC[C@H](OC)C/C=C/CCC(O)=O

Other Databases

PubChem CID
6479924

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 254.55
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.68
Molar Refractivity 66.08

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Updated at
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