Structure Database (LMSD)

Common Name
Cer(d14:2(4E,6E)/18:0)
Systematic Name
N-(octadecanoyl)-4E,6E-tetradecasphingadienine
Synonyms
  • Cer[NS]
LM ID
LMSP02010052
Status
Active
Exact Mass
Calculate m/z
507.465144
Formula
Abbrev
Abbrev Chains
Cer 14:2;O2/18:0



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)
ATMGSBIBHRODFH-TYYRSTBESA-N
InChi (Click to copy)
InChI=1S/C32H61NO3/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/h21,23,25,27,30-31,34-35H,3-20,22,24,26,28-29H2,1-2H3,(H,33,36)/b23-21+,27-25+/t30-,31+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCC)=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

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 591.61
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 9.42
Molar Refractivity 157.74

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Updated at
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