In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03019A8X
Common NamePS(18:1(11E)/12:0)
Systematic Name1-(11E-octadecenoyl)-2-dodecanoyl-sn-glycero-3-phosphoserine
SynonymsPS(30:1); PS(12:0_18:1)
Exact Mass
705.4581 (neutral)    Calculate m/z:
FormulaC36H68NO10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassDiacylglycerophosphoserines [GP0301]
PubChem Compound ID (CID)-
InChIKeyRXZIHSDEGNNATK-QIBGPCCMSA-N
InChIInChI=1S/C36H68NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-27-34(38)44-29-
32(30-45-48(42,43)46-31-33(37)36(40)41)47-35(39)28-26-24-22-19-12-10-8-6-4-2/h13
-14,32-33H,3-12,15-31,37H2,1-2H3,(H,40,41)(H,42,43)/b14-13+/t32-,33+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCC/C=C/CCCCCC)
=O)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)