In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03029AQF
Common NamePS(O-18:1(9Z)/10:0)
Systematic Name1-(9Z-octadecenyl)-2-decanoyl-sn-glycero-3-phosphoserine
SynonymsPS(O-28:1); PS(O-18:1/10:0)
Exact Mass
663.4475 (neutral)    Calculate m/z:
FormulaC34H66NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub Class1-alkyl,2-acylglycerophosphoserines [GP0302]
PubChem Compound ID (CID)-
InChIKeyODZRATQRFMBKLO-UKODLXMQSA-N
InChIInChI=1S/C34H66NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-41-28-31(2
9-42-45(39,40)43-30-32(35)34(37)38)44-33(36)26-24-22-20-10-8-6-4-2/h14-15,31-32H
,3-13,16-30,35H2,1-2H3,(H,37,38)(H,39,40)/b15-14-/t31-,32+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCC)(=O
)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)