Structure Database (LMSD)

Common Name
6-[5]-ladderane-hexanoic acid
Systematic Name
6-[5]-ladderane-hexanoic acid
Synonyms
LM ID
LMFA01140003
Formula
C18H26O2
Exact Mass
Calculate m/z
274.19328
Sum Composition
FA 18:5
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
FWADMOZVPHIBNO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H26O2/c19-13(20)5-3-1-2-4-9-8-12-14(9)18-16-11-7-6-10(11)15(16)17(12)18/h9-12,14-18H,1-8H2,(H,19,20)
SMILES (Click to copy)
C1C2C3C4C5CC(CCCCCC(=O)O)C5C4C3C2C1

Other Databases

CHEBI ID
188190
PubChem CID
10333573

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 5
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 273.10
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.81
Molar Refractivity 75.98

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Created at
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Updated at
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