In-Silico Structure Database (LMISSD)

OH H NH OH O OH H
Common Name
Cer(d17:0/21:0(2OH[R]))
Systematic Name
N-(2R-hydroxyheneicosanoyl)-heptadecasphinganine
LM ID
LMSP02029AJB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
611.585259
Formula
C38H77NO4
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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)
LGEKONPKULOOEK-HKIDPNTFSA-N
InChi (Click to copy)
InChI=1S/C38H77NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-37(42)38(43)39-35(34-40)36(41)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h35-37,40-42H,3-34H2,1-2H3,(H,39,43)/t35-,36+,37+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCC

References

Other Databases