In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10019AA2
Common NamePA(10:0/18:2(9Z,11Z))
Systematic Name1-decanoyl-2-(9Z,11Z-octadecadienoyl)-sn-glycero-3-phosphate
SynonymsPA(28:2); PA(10:0_18:2)
Exact Mass
588.3791 (neutral)    Calculate m/z:
FormulaC31H57O8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub ClassDiacylglycerophosphates [GP1001]
PubChem Compound ID (CID)-
InChIKeyMTBHNUHTHJCQMQ-FKXUIAHQSA-N
InChIInChI=1S/C31H57O8P/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/h12-15,29H,3-11,16-28H2,1-2H3
,(H2,34,35,36)/b13-12-,15-14-/t29-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\C=C/CCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)