In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03019AZN
Common NamePS(17:0/10:0)
Systematic Name1-heptadecanoyl-2-decanoyl-sn-glycero-3-phosphoserine
SynonymsPS(27:0); PS(10:0_17:0)
Exact Mass
665.4268 (neutral)    Calculate m/z:
FormulaC33H64NO10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassDiacylglycerophosphoserines [GP0301]
PubChem Compound ID (CID)-
InChIKeyLFVAGYYRGLOVNG-IHLOFXLRSA-N
InChIInChI=1S/C33H64NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-19-20-22-24-31(35)41-26-29(
27-42-45(39,40)43-28-30(34)33(37)38)44-32(36)25-23-21-18-10-8-6-4-2/h29-30H,3-28
,34H2,1-2H3,(H,37,38)(H,39,40)/t29-,30+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCC)=O)(=O
)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)