In-Silico Structure Database (LMISSD)

H H NH OH OH OH O
Common Name
Cer(t14:0/20:1(13Z))
Systematic Name
N-(13Z-eicosenoyl)-4R-hydroxytetradecasphinganine
LM ID
LMSP02039ABQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
553.507009
Formula
C34H67NO4
Predict MS/MS spectrum ([M-H]-)
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Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]

String Representations

InChiKey (Click to copy)
UPEPLBUCNSLKII-RHENTLIBSA-N
InChi (Click to copy)
InChI=1S/C34H67NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-33(38)35-31(30-36)34(39)32(37)28-26-24-22-12-10-8-6-4-2/h13-14,31-32,34,36-37,39H,3-12,15-30H2,1-2H3,(H,35,38)/b14-13-/t31-,32+,34-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCC/C=C\CCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCC

References

Other Databases