Structure Database (LMSD)

H NH OH O OH H
Common Name
Cer(d14:1/26:0)
Systematic Name
N-(hexacosanoyl)-tetradecasphing-4-enine
Synonyms
  • Cer(d14:1(4E)/26:0)
  • Cer[NS]
LM ID
LMSP02010042
Formula
C40H79NO3
Exact Mass
Calculate m/z
621.605994
Sum Composition
Cer 40:1;O2
Abbrev Chains
Cer 14:1;O2/26:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
Predict MS/MS spectrum ([M-H]-)

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]

String Representations

InChiKey (Click to copy)
ASKHOXZWEDLQAR-GLQCRSEXSA-N
InChi (Click to copy)
InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-12-10-8-6-4-2/h33,35,38-39,42-43H,3-32,34,36-37H2,1-2H3,(H,41,44)/b35-33+/t38-,39+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Drosophila melanogaster (#7227)
Insecta (#50557)
Biochemical membrane lipidomics during Drosophila development.,
Dev Cell, 2013
Pubmed ID: 23260625

Other Databases

PubChem CID
70698933
SwissLipids ID
SLM:000397294

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 0
Aromatic Rings 0
Rotatable Bonds 36
Van der Waals Molecular Volume 732.65
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 12.76
Molar Refractivity 194.77

Admin

Created at
-
Updated at
-