In-Silico Structure Database (LMISSD)

Common Name
PS(14:1(9Z)/18:2(9Z,15Z)(12OH[S]))
Systematic Name
1-(9Z-tetradecenoyl)-2-(12S-HODE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AJ9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
745.453002
Formula
C38H68NO11P
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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
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]

String Representations

InChiKey (Click to copy)
GKLTVIXGLMDTTH-BXEIEFLXSA-N
InChi (Click to copy)
InChI=1S/C38H68NO11P/c1-3-5-7-9-10-11-12-13-17-20-24-28-36(41)47-30-34(31-48-51(45,46)49-32-35(39)38(43)44)50-37(42)29-25-21-18-15-14-16-19-23-27-33(40)26-22-8-6-4-2/h6,8-10,19,23,33-35,40H,3-5,7,11-18,20-22,24-32,39H2,1-2H3,(H,43,44)(H,45,46)/b8-6-,10-9-,23-19-/t33-,34+,35-/m0/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\C[C@@H](O)CC/C=C\CC)=O)COC(CCCCCCC/C=C\CCCC)=O)(=O)O

References

Other Databases