In-Silico Structure Database (LMISSD)

OH H H NH OH O OH
Common Name
Cer(d14:0/17:0(2OH[R]))
Systematic Name
N-(2R-hydroxyheptadecanoyl)-tetradecasphinganine
LM ID
LMSP02029AZ4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
513.475709
Formula
C31H63NO4
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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-acylsphinganines (dihydroceramides) [SP0202]

String Representations

InChiKey (Click to copy)
YHEJFQVWYFLTPG-FRXPANAUSA-N
InChi (Click to copy)
InChI=1S/C31H63NO4/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-30(35)31(36)32-28(27-33)29(34)25-23-21-19-17-12-10-8-6-4-2/h28-30,33-35H,3-27H2,1-2H3,(H,32,36)/t28-,29+,30+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC

References

Other Databases