In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10029AAJ
Common NamePA(O-14:0/16:1(7Z))
Systematic Name1-tetradecyl-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphate
SynonymsPA(O-30:1); PA(O-14:0/16:1)
Exact Mass
604.4468 (neutral)    Calculate m/z:
FormulaC33H65O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-alkyl,2-acylglycerophosphates [GP1002]
PubChem Compound ID (CID)-
InChIKeyNMXMEWPPWFPWHZ-JEDOJCDQSA-N
InChIInChI=1S/C33H65O7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33(34)40-32(31-39-41
(35,36)37)30-38-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,32H,3-16,19-31H2,1-
2H3,(H2,35,36,37)/b18-17-/t32-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCC/C=C\CCCCCCCC)=O)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)