In-Silico Structure Database (LMISSD)

Common Name
Cer(d16:2(4E,8E)/11:0(2OH[R]))
Systematic Name
N-(2R-hydroxyundecanoyl)-4E,8E-hexadecasphingadienine
LM ID
LMSP02019A54
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
453.381809
Formula
C27H51NO4
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MDLMOL SDF CSV TSV PNG
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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)
KILRLUKMRLSUEE-IKFOPPOJSA-N
InChi (Click to copy)
InChI=1S/C27H51NO4/c1-3-5-7-9-11-12-13-14-16-17-19-21-25(30)24(23-29)28-27(32)26(31)22-20-18-15-10-8-6-4-2/h13-14,19,21,24-26,29-31H,3-12,15-18,20,22-23H2,1-2H3,(H,28,32)/b14-13+,21-19+/t24-,25+,26+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCC

References

Other Databases