LIPID MAPS

Structure Database (LMSD)

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Common Name

11-Cycloheptyldecanoic acid

Systematic Name

11-Cycloheptyldecanoic acid

Synonyms

omega-cycloheptyldecanoic acid

LM ID

LMFA01140095

Formula

C₁₇H₃₂O₂

Exact Mass

Calculate m/z

268.24023

Sum Composition

FA 17:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

OXWPLBIDMFXUJL-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C17H32O2/c18-17(19)15-11-5-3-1-2-4-8-12-16-13-9-6-7-10-14-16/h16H,1-15H2,(H,18,19)

SMILES (Click to copy)

C1CCCCCC1CCCCCCCCCC(=O)O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Alicyclobacillus cycloheptanicus (#1457)

Bacilli (#91061)

Three new omega-cycloheptyl fatty acids from Alicyclobacillus cycloheptanicus and their biosynthetic interrelationships.,
J Nat Prod, 1995

Pubmed ID: 7623036

Other Databases

PubChem CID

54175293

Calculated Physicochemical Properties

Heavy Atoms 19

Rings 1

Aromatic Rings 0

Rotatable Bonds 10

Van der Waals Molecular Volume 305.24

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 5.55

Molar Refractivity 80.38

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Created at

23rd Apr 2020

Updated at