In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10039DDP
Common NamePA(P-14:0/16:1(9Z))
Systematic Name1-(1Z-tetradecenyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphate
SynonymsPA(P-30:1); PA(P-14:0/16:1)
Exact Mass
602.4311 (neutral)    Calculate m/z:
FormulaC33H63O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
PubChem Compound ID (CID)-
InChIKeyVQADYFWGWFVNPC-RVHKNPLTSA-N
InChIInChI=1S/C33H63O7P/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/h13,15,27,29,32H,3-12,14,1
6-26,28,30-31H2,1-2H3,(H2,35,36,37)/b15-13-,29-27-/t32-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\CCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)