In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](38:0/39:0)
Systematic Name
1-octatriacontanoyl-2-nonatriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019FJB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1681.129082
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
XHPNIMWBZJHMAY-IYSBATOUSA-N
InChi (Click to copy)
InChI=1S/C86H172O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-80(88)104-78(77-103-112(100,101)108-83-81(89)84(105-109(91,92)93)86(107-111(97,98)99)85(82(83)90)106-110(94,95)96)76-102-79(87)74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h78,81-86,89-90H,3-77H2,1-2H3,(H,100,101)(H2,91,92,93)(H2,94,95,96)(H2,97,98,99)/t78-,81?,82?,83-,84+,85?,86?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O