In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03019CEJ
Common NamePS(18:4(9E,11E,13E,15E)/15:0)
Systematic Name1-(9E,11E,13E,15E-octadecatetraenoyl)-2-pentadecanoyl-sn-glycero-3-
phosphoserine
SynonymsPS(33:4); PS(15:0_18:4)
Exact Mass
741.4581 (neutral)    Calculate m/z:
FormulaC39H68NO10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassDiacylglycerophosphoserines [GP0301]
PubChem Compound ID (CID)-
InChIKeyWGKCSYLDWCDPTI-JIUNVVOGSA-N
InChIInChI=1S/C39H68NO10P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(41)47-32-
35(33-48-51(45,46)49-34-36(40)39(43)44)50-38(42)31-29-27-25-23-20-16-14-12-10-8-
6-4-2/h5,7,9,11,13,15,17-18,35-36H,3-4,6,8,10,12,14,16,19-34,40H2,1-2H3,(H,43,44
)(H,45,46)/b7-5+,11-9+,15-13+,18-17+/t35-,36+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C=C/C=
C/C=C/CC)=O)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)