In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03029AQO
Common NamePS(O-18:1(9Z)/16:1(7Z))
Systematic Name1-(9Z-octadecenyl)-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoserine
SynonymsPS(O-34:2); PS(O-18:1/16:1)
Exact Mass
745.5258 (neutral)    Calculate m/z:
FormulaC40H76NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub Class1-alkyl,2-acylglycerophosphoserines [GP0302]
PubChem Compound ID (CID)-
InChIKeyJNXAJMQSUCSLTL-OEMIGBONSA-N
InChIInChI=1S/C40H76NO9P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-47-34-37(3
5-48-51(45,46)49-36-38(41)40(43)44)50-39(42)32-30-28-26-24-22-20-16-14-12-10-8-6
-4-2/h17-18,20,22,37-38H,3-16,19,21,23-36,41H2,1-2H3,(H,43,44)(H,45,46)/b18-17-,
22-20-/t37-,38+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)COCCCCCCCC/C=C\CCC
CCCCC)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)