In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04029AJR
Common NamePG(O-16:1(9Z)/16:1(7Z))
Systematic Name1-(9Z-hexadecenyl)-2-(7Z-hexadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(O-32:2); PG(O-16:1/16:1)
Exact Mass
704.4992 (neutral)    Calculate m/z:
FormulaC38H73O9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub Class1-alkyl,2-acylglycerophosphoglycerols [GP0402]
PubChem Compound ID (CID)-
InChIKeyDODYDMNOOMUKBT-CRIYSABLSA-N
InChIInChI=1S/C38H73O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-44-34-37(35-46-48
(42,43)45-33-36(40)32-39)47-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,1
5,18,20,36-37,39-40H,3-12,14,16-17,19,21-35H2,1-2H3,(H,42,43)/b15-13-,20-18-/t36
-,37+/m0/s1
SMILES[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCC/C=C\C
CCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)