In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](10:0/14:0)
Systematic Name
1-decanoyl-2-tetradecanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AAE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
938.299632
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
KAWQOOZWXVCWJS-DBOBLZKDSA-N
InChi (Click to copy)
InChI=1S/C33H66O22P4/c1-3-5-7-9-11-12-13-14-16-18-20-22-27(35)51-25(23-49-26(34)21-19-17-15-10-8-6-4-2)24-50-59(47,48)55-30-28(36)31(52-56(38,39)40)33(54-58(44,45)46)32(29(30)37)53-57(41,42)43/h25,28-33,36-37H,3-24H2,1-2H3,(H,47,48)(H2,38,39,40)(H2,41,42,43)(H2,44,45,46)/t25-,28?,29?,30-,31+,32?,33?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCC)=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