In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10039DDQ
Common NamePA(P-14:0/17:0)
Systematic Name1-(1Z-tetradecenyl)-2-heptadecanoyl-sn-glycero-3-phosphate
SynonymsPA(P-31:0); PA(P-14:0/17:0)
Exact Mass
618.4624 (neutral)    Calculate m/z:
FormulaC34H67O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
PubChem Compound ID (CID)-
InChIKeyIIIYWJQLGIEMCR-OXNTXANNSA-N
InChIInChI=1S/C34H67O7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-34(35)41-33(32-40
-42(36,37)38)31-39-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h28,30,33H,3-27,29,31-3
2H2,1-2H3,(H2,36,37,38)/b30-28-/t33-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)