In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](16:1(9Z)/16:1(7Z))
Systematic Name
1-(9Z-hexadecenoyl)-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AXL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1046.393532
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
LDOITVVSWJRQJI-WFJXTAKYSA-N
InChi (Click to copy)
InChI=1S/C41H78O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h13,15,18,20,33,36-41,44-45H,3-12,14,16-17,19,21-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/b15-13-,20-18-/t33-,36?,37?,38-,39+,40?,41?/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(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C\CCCCCC)=O