In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03019AAB
Common NamePS(10:0/11:0)
Systematic Name1-decanoyl-2-undecanoyl-sn-glycero-3-phosphoserine
SynonymsPS(21:0); PS(10:0_11:0)
Exact Mass
581.3329 (neutral)    Calculate m/z:
FormulaC27H52NO10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassDiacylglycerophosphoserines [GP0301]
PubChem Compound ID (CID)-
InChIKeyVRYPMDVLSKTMET-RPWUZVMVSA-N
InChIInChI=1S/C27H52NO10P/c1-3-5-7-9-11-13-15-17-19-26(30)38-23(21-36-39(33,34)37-22-
24(28)27(31)32)20-35-25(29)18-16-14-12-10-8-6-4-2/h23-24H,3-22,28H2,1-2H3,(H,31,
32)(H,33,34)/t23-,24+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCC)=O)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)