Structure Database (LMSD)

Common Name
Cer(m18:0/26:0)
Systematic Name
N-(hexacosanoyl)-1-deoxysphinganine
Synonyms
  • C26DH 1-deoxyCer
LM ID
LMSP00000014
Formula
C44H89NO2
Exact Mass
Calculate m/z
663.689329
Sum Composition
Cer 44:0;O
Abbrev Chains
Cer 18:0;O/26:0
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)
SMVNPQJTRBENCZ-WZYYJWNZSA-N
InChi (Click to copy)
InChI=1S/C44H89NO2/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-44(47)45-42(3)43(46)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2/h42-43,46H,4-41H2,1-3H3,(H,45,47)/t42-,43+/m0/s1
SMILES (Click to copy)
[C@](C)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

PubChem CID
73242205

Calculated Physicochemical Properties

Heavy Atoms 47
Rings 0
Aromatic Rings 0
Rotatable Bonds 40
Van der Waals Molecular Volume 795.70
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 15.29
Molar Refractivity 211.43

Admin

Created at
-
Updated at
14th Dec 2021