In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](18:3(6Z,9Z,12Z)/16:1(7Z))
Systematic Name
1-(6Z,9Z,12Z-octadecatrienoyl)-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019B7P
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
910.460866
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
QCNZEDOMEUPCPB-RIHNHGHFSA-N
InChi (Click to copy)
InChI=1S/C43H76O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h11,13,17-19,21-23,35,38-43,46-49H,3-10,12,14-16,20,24-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,18-17-,22-19-,23-21-/t35-,38?,39?,40?,41?,42-,43+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O