Structure Database (LMSD)

Common Name
Cer(d15:2(4E,6E)/20:0)
Systematic Name
N-(eicosanoyl)-4E,6E-pentadecasphingadienine
Synonyms
  • Cer[NS]
LM ID
LMSP02010060
Formula
C35H67NO3
Exact Mass
Calculate m/z
549.512094
Sum Composition
Cer 35:2;O2
Abbrev Chains
Cer 15:2;O2/20:0
Status
Curated
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)
BPAMQEHLKCMFHK-QYQZFFDRSA-N
InChi (Click to copy)
InChI=1S/C35H67NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-35(39)36-33(32-37)34(38)30-28-26-24-22-14-12-10-8-6-4-2/h24,26,28,30,33-34,37-38H,3-23,25,27,29,31-32H2,1-2H3,(H,36,39)/b26-24+,30-28+/t33-,34+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCCC

Other Databases

PubChem CID
70698947

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 643.51
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 10.59
Molar Refractivity 171.59

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