In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10019AAP
Common NamePA(10:0/18:1(11E))
Systematic Name1-decanoyl-2-(11E-octadecenoyl)-sn-glycero-3-phosphate
SynonymsPA(28:1); PA(10:0_18:1)
Exact Mass
590.3948 (neutral)    Calculate m/z:
FormulaC31H59O8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub ClassDiacylglycerophosphates [GP1001]
PubChem Compound ID (CID)-
InChIKeyUTQQIRZLTGCRNM-QCLDULSCSA-N
InChIInChI=1S/C31H59O8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(33)39-29(28
-38-40(34,35)36)27-37-30(32)25-23-21-19-10-8-6-4-2/h12-13,29H,3-11,14-28H2,1-2H3
,(H2,34,35,36)/b13-12+/t29-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCC/C=C/CCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)