In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03029AA1
Common NamePS(O-14:0/18:2(9E,12E))
Systematic Name1-tetradecyl-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phosphoserine
SynonymsPS(O-32:2); PS(O-14:0/18:2)
Exact Mass
717.4945 (neutral)    Calculate m/z:
FormulaC38H72NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub Class1-alkyl,2-acylglycerophosphoserines [GP0302]
PubChem Compound ID (CID)-
InChIKeyCWZKNCXMXBMJIN-UYZFRXFNSA-N
InChIInChI=1S/C38H72NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-37(40)48-35(3
3-46-49(43,44)47-34-36(39)38(41)42)32-45-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h
11,13,17-18,35-36H,3-10,12,14-16,19-34,39H2,1-2H3,(H,41,42)(H,43,44)/b13-11+,18-
17+/t35-,36+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)COCCCCCCCCCCC
CCC)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)