In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](13:0/17:1(9Z))
Systematic Name
1-tridecanoyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AHJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1020.377882
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
RMWDSGXVUZISAA-YTURQGGNSA-N
InChi (Click to copy)
InChI=1S/C39H76O22P4/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-33(41)57-31(29-55-32(40)27-25-23-21-19-14-12-10-8-6-4-2)30-56-65(53,54)61-36-34(42)37(58-62(44,45)46)39(60-64(50,51)52)38(35(36)43)59-63(47,48)49/h15-16,31,34-39,42-43H,3-14,17-30H2,1-2H3,(H,53,54)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)/b16-15-/t31-,34?,35?,36-,37+,38?,39?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=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(CCCCCCCCCCCC)=O