Structure Database (LMSD)

Common Name
Lyngbic acid
Systematic Name
7(S)-methoxy-tetradec-4E-enoic acid
Synonyms
LM ID
LMFA01080034
Formula
C15H28O3
Exact Mass
Calculate m/z
256.203845
Sum Composition
FA 15:1;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)
DHIPOEWPWSLXNL-KGXGESDWSA-N
InChi (Click to copy)
InChI=1S/C15H28O3/c1-3-4-5-6-8-11-14(18-2)12-9-7-10-13-15(16)17/h7,9,14H,3-6,8,10-13H2,1-2H3,(H,16,17)/b9-7+/t14-/m0/s1
SMILES (Click to copy)
C(CCCC)CC[C@H](OC)C/C=C/CCC(O)=O

Other Databases

CHEBI ID
67609
PubChem CID
11065049

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 289.15
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.46
Molar Refractivity 75.31

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Created at
-
Updated at
21st Apr 2020