In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](16:1(7Z)/30:0)
Systematic Name
1-(7Z-hexadecenoyl)-2-triacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AW2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1244.628282
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
UDABEZJXVNQKIE-VVMABYDESA-N
InChi (Click to copy)
InChI=1S/C55H108O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-49(57)73-47(45-71-48(56)43-41-39-37-35-33-31-16-14-12-10-8-6-4-2)46-72-81(69,70)77-52-50(58)53(74-78(60,61)62)55(76-80(66,67)68)54(51(52)59)75-79(63,64)65/h31,33,47,50-55,58-59H,3-30,32,34-46H2,1-2H3,(H,69,70)(H2,60,61,62)(H2,63,64,65)(H2,66,67,68)/b33-31-/t47-,50?,51?,52-,53+,54?,55?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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(CCCCC/C=C\CCCCCCCC)=O