In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10039DEC
Common NamePA(P-14:0/18:4(9E,11E,13E,15E))
Systematic Name1-(1Z-tetradecenyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-
phosphate
SynonymsPA(P-32:4); PA(P-14:0/18:4)
Exact Mass
624.4155 (neutral)    Calculate m/z:
FormulaC35H61O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
PubChem Compound ID (CID)-
InChIKeySZWMPEIIKZAOEK-BSXAREOLSA-N
InChIInChI=1S/C35H61O7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-35(36)42-34(33
-41-43(37,38)39)32-40-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,9,11,13,15,17-1
8,29,31,34H,3-4,6,8,10,12,14,16,19-28,30,32-33H2,1-2H3,(H2,37,38,39)/b7-5+,11-9+
,15-13+,18-17+,31-29-/t34-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)