In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10039AG7
Common NamePA(P-18:0/10:0)
Systematic Name1-(1Z-octadecenyl)-2-decanoyl-sn-glycero-3-phosphate
SynonymsPA(P-28:0); PA(P-18:0/10:0)
Exact Mass
576.4155 (neutral)    Calculate m/z:
FormulaC31H61O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
PubChem Compound ID (CID)-
InChIKeyKSUGZBDQDOTZDF-IOTBMVGNSA-N
InChIInChI=1S/C31H61O7P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-36-28-30(29
-37-39(33,34)35)38-31(32)26-24-22-20-10-8-6-4-2/h25,27,30H,3-24,26,28-29H2,1-2H3
,(H2,33,34,35)/b27-25-/t30-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)