Structure Database (LMSD)

H NH O OH H
Common Name
Cer(m18:0/18:0)
Systematic Name
N-(octadecanoyl)-1-deoxysphinganine
Synonyms
  • C18DH 1-deoxyCer
LM ID
LMSP00000018
Formula
C36H73NO2
Exact Mass
Calculate m/z
551.564129
Sum Composition
Cer 36:0;O
Abbrev Chains
Cer 18:0;O/18:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
1-deoxyceramides [SP0206]

String Representations

InChiKey (Click to copy)
SSRXXIJGSYRYGC-OIDHKYIRSA-N
InChi (Click to copy)
InChI=1S/C36H73NO2/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-36(39)37-34(3)35(38)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h34-35,38H,4-33H2,1-3H3,(H,37,39)/t34-,35+/m0/s1
SMILES (Click to copy)
[C@](C)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

References

Other Databases

PubChem CID
73242209

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 657.30
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 12.17
Molar Refractivity 174.49

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Created at
-
Updated at
14th Dec 2021