Structure Database (LMSD)

Common Name
11-Cycloheptylundecanoic acid
Systematic Name
11-Cycloheptylundecanoic acid
Synonyms
LM ID
LMFA01140008
Status
Active
Exact Mass
Calculate m/z
282.25588
Formula
C18H34O2
Abbrev
FA 18:1
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
OMZUUGOYASJZKP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c19-18(20)16-12-6-4-2-1-3-5-9-13-17-14-10-7-8-11-15-17/h17H,1-16H2,(H,19,20)
SMILES (Click to copy)
C1CCCCCC1CCCCCCCCCCC(=O)O

References

Reference
Netherlands Institute for Sea Research (NIOZ) MBT database
Comments
Submitted by Henry Boumann, Netherlands

Other Databases

KEGG ID
C12103
CHEBI ID
29735
PubChem CID
443625

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 322.54
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.94
Molar Refractivity 85.00

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Updated at
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