In-Silico Structure Database (LMISSD)

Common Name
Cer(d16:2(4E,8E)/14:0(2OH[R]))
Systematic Name
N-(2R-hydroxytetradecanoyl)-4E,8E-hexadecasphingadienine
LM ID
LMSP02019A6A
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
495.428759
Formula

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

Main

Classification

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

String Representations

InChiKey (Click to copy)
RFHQPPMQWQWGJD-RXLZVWHNSA-N
InChi (Click to copy)
InChI=1S/C30H57NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-28(33)27(26-32)31-30(35)29(34)25-23-21-19-16-14-12-10-8-6-4-2/h15,17,22,24,27-29,32-34H,3-14,16,18-21,23,25-26H2,1-2H3,(H,31,35)/b17-15+,24-22+/t27-,28+,29+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCC

References

Other Databases