Structure Database (LMSD)

Common Name
Cer(m18:1(4E)/20:0)
Systematic Name
N-(eicosanoyl)-1-deoxysphing-4-enine
Synonyms
  • C20 1-deoxyCer
LM ID
LMSP00000006
Formula
C38H75NO2
Exact Mass
Calculate m/z
577.579779
Sum Composition
Cer 38:1;O
Abbrev Chains
Cer 18:1;O/20:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
BDOKQOQOGQPDCY-QJWMWEEBSA-N
InChi (Click to copy)
InChI=1S/C38H75NO2/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-38(41)39-36(3)37(40)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2/h32,34,36-37,40H,4-31,33,35H2,1-3H3,(H,39,41)/b34-32+/t36-,37+/m0/s1
SMILES (Click to copy)
[C@](C)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

Other Databases

PubChem CID
73242197

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 689.26
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 12.72
Molar Refractivity 183.63

Admin

Created at
-
Updated at
14th Dec 2021