Structure Database (LMSD)

Common Name
1-Deoxy-3-dehydrosphinganine
Systematic Name
2S-amino-3-octadecanone
Synonyms
LM ID
LMSP01080093
Formula
C18H37NO
Exact Mass
Calculate m/z
283.287514
Sum Composition
SPB 18:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base analogs [SP0108]

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
HNOAUFBMSISHIO-KRWDZBQOSA-N
InChi (Click to copy)
InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17H,3-16,19H2,1-2H3/t17-/m0/s1
SMILES (Click to copy)
C[C@H](N)C(=O)CCCCCCCCCCCCCCC

Other Databases

CHEBI ID
67176
PubChem CID
9878914

Calculated Physicochemical Properties

Heavy Atoms 20
Rings
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 337.11
Topological Polar Surface Area 43.09
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.67
Molar Refractivity 89.48

Admin

Created at
12th Feb 2026
Updated at
12th Feb 2026