Structure Database (LMSD)

Common Name
Cer(m18:0/24:1(15Z))
Systematic Name
N-(15Z-tetracosenoyl)-1-deoxysphinganine
Synonyms
  • C24:1DH 1-deoxyCer
LM ID
LMSP00000013
Formula
C42H83NO2
Exact Mass
Calculate m/z
633.642379
Sum Composition
Cer 42:1;O
Abbrev Chains
Cer 18:0;O/24:1
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)
XBNZFPFCTSJHRI-FIIAPBGQSA-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/h18-19,40-41,44H,4-17,20-39H2,1-3H3,(H,43,45)/b19-18-/t40-,41+/m0/s1
SMILES (Click to copy)
[C@](C)([H])(NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

PubChem CID
73242204
Cayman ID
27562

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