Structure Database (LMSD)

OH H H NH OH O OH
Common Name
Cer(d14:1(4E)/18:1(9Z)(2OH))
Systematic Name
N-(2-hydroxy-9Z-octadecenoyl)-tetradecasphing-4-enine
Synonyms
  • Cer[AS]
LM ID
LMSP02010094
Formula
C32H61NO4
Exact Mass
Calculate m/z
523.460059
Sum Composition
Cer 32:2;O3
Abbrev Chains
Cer 14:1;O2/18:1;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)
ZFZFWMBMZIIVIX-ZJXSLYTJSA-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/h15-16,24,26,29-31,34-36H,3-14,17-23,25,27-28H2,1-2H3,(H,33,37)/b16-15-,26-24+/t29-,30+,31?/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCC/C=C\CCCCCCCC)=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
70698981

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
-