Structure Database (LMSD)

Common Name
Eicosanal
Systematic Name
Eicosanal
Synonyms
LM ID
LMFA06000250
Formula
C20H40O
Exact Mass
Calculate m/z
296.307915
Sum Composition
FAL 20:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
FWBUWJHWAKTPHI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h20H,2-19H2,1H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCC)(=O)[H]

Other Databases

CHEBI ID
196292
PubChem CID
75458

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 360.71
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 7.23
Molar Refractivity 94.84

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Created at
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Updated at
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