In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07019AA3
Common NamePIP[3'](10:0/18:2(9Z,12Z))
Systematic Name1-decanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoinositol-3-phosphate
SynonymsPIP[3'](28:2); PIP(10:0_18:2)
Exact Mass
830.3983 (neutral)    Calculate m/z:
FormulaC37H68O16P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub ClassDiacylglycerophosphoinositol monophosphates [GP0701]
PubChem Compound ID (CID)-
InChIKeyQRNDDAPHWLFESY-NMAWTREHSA-N
InChIInChI=1S/C37H68O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(39)51-29(
27-49-30(38)25-23-21-19-10-8-6-4-2)28-50-55(47,48)53-37-34(42)32(40)33(41)36(35(
37)43)52-54(44,45)46/h11-12,14-15,29,32-37,40-43H,3-10,13,16-28H2,1-2H3,(H,47,48
)(H2,44,45,46)/b12-11-,15-14-/t29-,32?,33?,34?,35?,36-,37+/m1/s1
SMILES[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)
C(O)C(O)C1O)COC(CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)