Structure Database (LMSD)

Common Name
Cer(d14:1/26:0)
Systematic Name
N-(hexacosanoyl)-tetradecasphing-4-enine
Synonyms
  • Cer(d14:1(4E)/26:0)
  • Cer[NS]
LM ID
LMSP02010042
Status
Active
Exact Mass
Calculate m/z
621.605994
Formula
Abbrev
Abbrev Chains
Cer 14:1;O2/26:0




Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ASKHOXZWEDLQAR-GLQCRSEXSA-N
InChi (Click to copy)
InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-12-10-8-6-4-2/h33,35,38-39,42-43H,3-32,34,36-37H2,1-2H3,(H,41,44)/b35-33+/t38-,39+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC

References

Reference
Drosophila membrane sphingolipids
Source: Xueli Guan, Markus R Wenk

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
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 0
Aromatic Rings 0
Rotatable Bonds 36
Van der Waals Molecular Volume 732.65
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 12.76
Molar Refractivity 194.77

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Created at
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Updated at
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