In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10029AJO
Common NamePA(O-16:1(9Z)/15:0)
Systematic Name1-(9Z-hexadecenyl)-2-pentadecanoyl-sn-glycero-3-phosphate
SynonymsPA(O-31:1); PA(O-16:1/15:0)
Exact Mass
618.4624 (neutral)    Calculate m/z:
FormulaC34H67O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-alkyl,2-acylglycerophosphates [GP1002]
PubChem Compound ID (CID)-
InChIKeyKODDTTRPSDJDQQ-AVKQKRQHSA-N
InChIInChI=1S/C34H67O7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-39-31-33(32-40-42
(36,37)38)41-34(35)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,33H,3-12,14,16-3
2H2,1-2H3,(H2,36,37,38)/b15-13-/t33-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)