Structure Database (LMSD)

OH H H NH OH O OH
Common Name
Cer(d14:2(4E,6E)/18:0(2OH))
Systematic Name
N-(2-hydroxy-octadecanoyl)-4E,6E-tetradecasphingadienine
Synonyms
  • Cer[AS]
LM ID
LMSP02010074
Formula
C32H61NO4
Exact Mass
Calculate m/z
523.460059
Sum Composition
Cer 32:2;O3
Abbrev Chains
Cer 14:2;O2/18:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
BQZFEDVPVKCKOH-HAVXCLIQSA-N
InChi (Click to copy)
InChI=1S/C32H61NO4/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-31(36)32(37)33-29(28-34)30(35)26-24-22-20-18-12-10-8-6-4-2/h20,22,24,26,29-31,34-36H,3-19,21,23,25,27-28H2,1-2H3,(H,33,37)/b22-20+,26-24+/t29-,30+,31?/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC

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
70698961

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 0
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 600.40
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 8.67
Molar Refractivity 159.64

Admin

Created at
-
Updated at
-