Structure Database (LMSD)

Common Name
Cer(d14:2(4E,6E)/22:1(13Z)(2OH))
Systematic Name
N-(2-hydroxy-13Z-docosenoyl)-4E,6E-tetradecasphingadienine
Synonyms
  • Cer[AS]
LM ID
LMSP02010079
Formula
C36H67NO4
Exact Mass
Calculate m/z
577.507009
Sum Composition
Cer 36:3;O3
Abbrev Chains
Cer 14:2;O2/22:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
ZXQRJRUZQFLTJC-FTXQQGTRSA-N
InChi (Click to copy)
InChI=1S/C36H67NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-35(40)36(41)37-33(32-38)34(39)30-28-26-24-22-12-10-8-6-4-2/h15-16,24,26,28,30,33-35,38-40H,3-14,17-23,25,27,29,31-32H2,1-2H3,(H,37,41)/b16-15-,26-24+,30-28+/t33-,34+,35?/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC

Other Databases

PubChem CID
70698966

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 666.96
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 10.01
Molar Refractivity 178.02

Admin

Created at
-
Updated at
-