Structure Database (LMSD)

Common Name
Cer(m18:1(4E)/24:0)
Systematic Name
N-(tetracosanoyl)-1-deoxysphing-4-enine
Synonyms
  • C24 1-deoxyCer
LM ID
LMSP00000008
Formula
C42H83NO2
Exact Mass
Calculate m/z
633.642379
Sum Composition
Cer 42:1;O
Abbrev Chains
Cer 18:1;O/24:0
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)
SPBLYZJOQAUPPY-JGWXTICHSA-N
InChi (Click to copy)
InChI=1S/C42H83NO2/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-42(45)43-40(3)41(44)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2/h36,38,40-41,44H,4-35,37,39H2,1-3H3,(H,43,45)/b38-36+/t40-,41+/m0/s1
SMILES (Click to copy)
[C@](C)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

Other Databases

PubChem CID
73242199
Cayman ID
27016

Calculated Physicochemical Properties

Heavy Atoms 45
Rings 0
Aromatic Rings 0
Rotatable Bonds 37
Van der Waals Molecular Volume 758.46
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 14.28
Molar Refractivity 202.10

Admin

Created at
-
Updated at
14th Dec 2021