Structure Database (LMSD)

Common Name
7-methoxy-hexadec-(4E,8E)-dienoic acid
Systematic Name
7-methoxy-hexadec-(4E,8E)-dienoic acid
Synonyms
LM ID
LMFA01080032
Formula
C17H30O3
Exact Mass
Calculate m/z
282.219495
Sum Composition
FA 17:2;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)
SDZZDAKRASOOBC-HOJJKJLFSA-N
InChi (Click to copy)
InChI=1S/C17H30O3/c1-3-4-5-6-7-8-10-13-16(20-2)14-11-9-12-15-17(18)19/h9-11,13,16H,3-8,12,14-15H2,1-2H3,(H,18,19)/b11-9+,13-10+
SMILES (Click to copy)
C(CCCC)CC/C=C/C(OC)C/C=C/CCC(=O)O

Other Databases

PubChem CID
137323819

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 321.11
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.02
Molar Refractivity 84.45

Admin

Created at
-
Updated at
-