Structure Database (LMSD)

Common Name
Stearaldehyde
Systematic Name
octadecanal
Synonyms
LM ID
LMFA06000098
Formula
C18H36O
Exact Mass
Calculate m/z
268.276615
Sum Composition
FAL 18:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

String Representations

InChiKey (Click to copy)
FWWQKRXKHIRPJY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
SMILES (Click to copy)
C(CCCCCCCC)CCCCCCCCC([H])=O

Other Databases

KEGG ID
C01838
HMDB ID
HMDB0002384
CHEBI ID
17034
PubChem CID
12533
SwissLipids ID
SLM:000389945
PDB ID
OCD

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 326.11
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.45
Molar Refractivity 85.61

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Updated at
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