In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](10:0/18:4(9E,11E,13E,15E))
Systematic Name
1-decanoyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019AA7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
826.366966
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
YHZBKEWVQJSVQM-MWMUORILSA-N
InChi (Click to copy)
InChI=1S/C37H64O16P2/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/h5,7,9,11-15,29,32-37,40-43H,3-4,6,8,10,16-28H2,1-2H3,(H,47,48)(H2,44,45,46)/b7-5+,11-9+,13-12+,15-14+/t29-,32?,33?,34?,35?,36-,37+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCC)=O