In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03029AAD
Common NamePS(O-14:0/13:0)
Systematic Name1-tetradecyl-2-tridecanoyl-sn-glycero-3-phosphoserine
SynonymsPS(O-27:0); PS(O-14:0/13:0)
Exact Mass
651.4475 (neutral)    Calculate m/z:
FormulaC33H66NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub Class1-alkyl,2-acylglycerophosphoserines [GP0302]
PubChem Compound ID (CID)-
InChIKeyVMJYQQPQLZUTHP-JSOSNVBQSA-N
InChIInChI=1S/C33H66NO9P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-40-27-30(28-41-44(38,3
9)42-29-31(34)33(36)37)43-32(35)25-23-21-19-17-14-12-10-8-6-4-2/h30-31H,3-29,34H
2,1-2H3,(H,36,37)(H,38,39)/t30-,31+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCC)=O)COCCCCCCCCCCCCCC)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)