In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](16:1(9Z)/27:0)
Systematic Name
1-(9Z-hexadecenoyl)-2-heptacosanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AZA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1202.581332
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
RSEZLROVLDGBAJ-CZEMHLEKSA-N
InChi (Click to copy)
InChI=1S/C52H102O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-46(54)70-44(42-68-45(53)40-38-36-34-32-30-28-16-14-12-10-8-6-4-2)43-69-78(66,67)74-49-47(55)50(71-75(57,58)59)52(73-77(63,64)65)51(48(49)56)72-76(60,61)62/h14,16,44,47-52,55-56H,3-13,15,17-43H2,1-2H3,(H,66,67)(H2,57,58,59)(H2,60,61,62)(H2,63,64,65)/b16-14-/t44-,47?,48?,49-,50+,51?,52?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=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