In-Silico Structure Database (LMISSD)

H H NH OH O OH
Common Name
Cer(d14:2(4E,8E)/21:0)
Systematic Name
N-(heneicosanoyl)-4E,8E-tetradecasphingadienine
LM ID
LMSP02019AKR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
549.512094
Formula
C35H67NO3
Predict MS/MS spectrum ([M-H]-)
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Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]

String Representations

InChiKey (Click to copy)
RHNYQFPWOKPMSX-ZTQIIRFUSA-N
InChi (Click to copy)
InChI=1S/C35H67NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-35(39)36-33(32-37)34(38)30-28-26-24-22-12-10-8-6-4-2/h12,22,28,30,33-34,37-38H,3-11,13-21,23-27,29,31-32H2,1-2H3,(H,36,39)/b22-12+,30-28+/t33-,34+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCC

References

Other Databases