In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10039DDS
Common NamePA(P-14:0/17:2(9Z,12Z))
Systematic Name1-(1Z-tetradecenyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphate
SynonymsPA(P-31:2); PA(P-14:0/17:2)
Exact Mass
614.4311 (neutral)    Calculate m/z:
FormulaC34H63O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
PubChem Compound ID (CID)-
InChIKeyKZYCTUJKLJCIBX-XWZWKZRRSA-N
InChIInChI=1S/C34H63O7P/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/h9,11,15,17,28,30,33H,3
-8,10,12-14,16,18-27,29,31-32H2,1-2H3,(H2,36,37,38)/b11-9-,17-15-,30-28-/t33-/m1
/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)