In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](15:1(9Z)/18:2(2E,4E))
Systematic Name
1-(9Z-pentadecenoyl)-2-(2E,4E-octadecadienoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AQ3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1058.393532
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
AJIYWTGHGARVDG-VOYYJOKOSA-N
InChi (Click to copy)
InChI=1S/C42H78O22P4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(44)60-34(32-58-35(43)30-28-26-24-22-20-16-14-12-10-8-6-4-2)33-59-68(56,57)64-39-37(45)40(61-65(47,48)49)42(63-67(53,54)55)41(38(39)46)62-66(50,51)52/h12,14,25,27,29,31,34,37-42,45-46H,3-11,13,15-24,26,28,30,32-33H2,1-2H3,(H,56,57)(H2,47,48,49)(H2,50,51,52)(H2,53,54,55)/b14-12-,27-25+,31-29+/t34-,37?,38?,39-,40+,41?,42?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(/C=C/C=C/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(CCCCCCC/C=C\CCCCC)=O