In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03029AAW
Common NamePS(O-14:0/18:1(9E))
Systematic Name1-tetradecyl-2-(9E-octadecenoyl)-sn-glycero-3-phosphoserine
SynonymsPS(O-32:1); PS(O-14:0/18:1)
Exact Mass
719.5101 (neutral)    Calculate m/z:
FormulaC38H74NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub Class1-alkyl,2-acylglycerophosphoserines [GP0302]
PubChem Compound ID (CID)-
InChIKeyFTEQDPROTMQPQP-SGWKXICMSA-N
InChIInChI=1S/C38H74NO9P/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
17-18,35-36H,3-16,19-34,39H2,1-2H3,(H,41,42)(H,43,44)/b18-17+/t35-,36+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C/CCCCCCCC)=O)COCCCCCCCCCCCCCC
)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)