Structure Database (LMSD)

H H NH OH O OH
Common Name
Cer(d14:2(4E,6E)/18:1(9Z))
Systematic Name
N-(9Z-octadecenoyl)-4E,6E-tetradecasphingadienine
Synonyms
  • Cer[NS]
LM ID
LMSP02010053
Formula
C32H59NO3
Exact Mass
Calculate m/z
505.449494
Sum Composition
Cer 32:3;O2
Abbrev Chains
Cer 14:2;O2/18:1
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)
CGTRJQCZAJENJT-LPDDRZGOSA-N
InChi (Click to copy)
InChI=1S/C32H59NO3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(36)33-30(29-34)31(35)27-25-23-21-19-12-10-8-6-4-2/h15-16,21,23,25,27,30-31,34-35H,3-14,17-20,22,24,26,28-29H2,1-2H3,(H,33,36)/b16-15-,23-21+,27-25+/t30-,31+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCC/C=C\CCCCCCCC)=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

CHEBI ID
168984
PubChem CID
70698942

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 588.97
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 9.19
Molar Refractivity 157.65

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Created at
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Updated at
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