In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](10:0/18:2(9E,11E))
Systematic Name
1-decanoyl-2-(9E,11E-octadecadienoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AA0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
990.330932
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
RQBNJDWDYCKKOU-NCNFGIIQSA-N
InChi (Click to copy)
InChI=1S/C37H70O22P4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(39)55-29(27-53-30(38)25-23-21-19-10-8-6-4-2)28-54-63(51,52)59-34-32(40)35(56-60(42,43)44)37(58-62(48,49)50)36(33(34)41)57-61(45,46)47/h12-15,29,32-37,40-41H,3-11,16-28H2,1-2H3,(H,51,52)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)/b13-12+,15-14+/t29-,32?,33?,34-,35+,36?,37?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCC)=O