Structure Database (LMSD)

Common Name
11-methoxy-heptadecanoic acid
Systematic Name
11-methoxyheptadecanoic acid
Synonyms
LM ID
LMFA01080030
Status
Active
Exact Mass
Calculate m/z
300.266445
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ASIMYHUYTWMYIY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O3/c1-3-4-5-11-14-17(21-2)15-12-9-7-6-8-10-13-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
SMILES (Click to copy)
CCCCCCC(OC)CCCCCCCCCC(=O)O

References

Reference
New advances in the chemistry of methoxylated lipids. N. M. Carballeira. Progress in Lipid Research. Volume 41, Issue 6, November 2002, Pages 437-456.

https://www.sciencedirect.com/science/article/pii/S016378270200005X?via%3Dihub%3Dihub

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Helicobacter pylori (#210)
Epsilonproteobacteria (#29547)
New advances in the chemistry of methoxylated lipids.,
Prog Lipid Res, 2002
Pubmed ID: 12169299

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 343.69
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.85
Molar Refractivity 89.26

Admin

Created at
-
Updated at
-