In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06019AU1
Common NamePI(16:1(7Z)/10:0)
Systematic Name1-(7Z-hexadecenoyl)-2-decanoyl-sn-glycero-3-phosphoinositol
SynonymsPI(26:1); PI(10:0_16:1)
Exact Mass
724.4163 (neutral)    Calculate m/z:
FormulaC35H65O13P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassDiacylglycerophosphoinositols [GP0601]
PubChem Compound ID (CID)-
InChIKeyKKSRRTLVBKJGDA-KZMDVBAGSA-N
InChIInChI=1S/C35H65O13P/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-28(36)45-25-27(47-2
9(37)24-22-20-17-10-8-6-4-2)26-46-49(43,44)48-35-33(41)31(39)30(38)32(40)34(35)4
2/h14-15,27,30-35,38-42H,3-13,16-26H2,1-2H3,(H,43,44)/b15-14-/t27-,30?,31-,32?,3
3?,34?,35-/m1/s1
SMILES[C@]([H])(OC(CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCC/C
=C\CCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)