Structure Database (LMSD)

H NH OH O OH H
Common Name
Cer(d15:2(4E,6E)/22:0)
Systematic Name
N-(docosanoyl)-4E,6E-pentadecasphingadienine
Synonyms
  • Cer[NS]
LM ID
LMSP02010061
Formula
C37H71NO3
Exact Mass
Calculate m/z
577.543394
Sum Composition
Cer 37:2;O2
Abbrev Chains
Cer 15:2;O2/22:0
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)
DJVWDCOKAJCRDK-BLRRJSBFSA-N
InChi (Click to copy)
InChI=1S/C37H71NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-37(41)38-35(34-39)36(40)32-30-28-26-24-14-12-10-8-6-4-2/h26,28,30,32,35-36,39-40H,3-25,27,29,31,33-34H2,1-2H3,(H,38,41)/b28-26+,32-30+/t35-,36+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCCC

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
70698948

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 678.11
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 11.37
Molar Refractivity 180.82

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Updated at
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