In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10029AXN
Common NamePA(O-20:1(9Z)/17:0)
Systematic Name1-(9Z-eicosenyl)-2-heptadecanoyl-sn-glycero-3-phosphate
SynonymsPA(O-37:1); PA(O-20:1/17:0)
Exact Mass
702.5563 (neutral)    Calculate m/z:
FormulaC40H79O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-alkyl,2-acylglycerophosphates [GP1002]
PubChem Compound ID (CID)-
InChIKeyFDOBERFDHBHLIL-KUNNKMQBSA-N
InChIInChI=1S/C40H79O7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-45-37
-39(38-46-48(42,43)44)47-40(41)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h20-2
1,39H,3-19,22-38H2,1-2H3,(H2,42,43,44)/b21-20-/t39-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)