Structure Database (LMSD)

O H
Common Name
octacosanal
Systematic Name
octacosanal
Synonyms
LM ID
LMFA06000108
Formula
C28H56O
Exact Mass
Calculate m/z
408.433115
Sum Composition
FAL 28:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
LVXORIXZNUNHGQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h28H,2-27H2,1H3
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)[H])CCCCCCCCCCCCCC

References

Other Databases

HMDB ID
HMDB0029690
CHEBI ID
78441
PubChem CID
3084376

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 499.11
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 10.35
Molar Refractivity 131.78

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Created at
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Updated at
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