Structure Database (LMSD)

Common Name
Cer(d16:1/18:0)
Systematic Name
N-(octadecanoyl)-hexadecasphing-4-enine
Synonyms
  • Cer(d16:1(4E)/18:0)
  • Cer[NS]
LM ID
LMSP02010046
Formula
C34H67NO3
Exact Mass
Calculate m/z
537.512094
Sum Composition
Cer 34:1;O2
Abbrev Chains
Cer 16:1;O2/18:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
Predict MS/MS spectrum ([M-H]-)

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)
UQKAUNJILIUTGT-TURZORIXSA-N
InChi (Click to copy)
InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-34(38)35-32(31-36)33(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCC

Other Databases

CHEBI ID
179990
PubChem CID
10582678
SwissLipids ID
SLM:000397537

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 628.85
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 10.42
Molar Refractivity 167.07

Admin

Created at
-
Updated at
-