In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](39:0/18:1(9E))
Systematic Name
1-nonatriacontanoyl-2-(9E-octadecenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019FJY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1398.800432
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
UPBIKJFINBPDJU-YFVZWFDJSA-N
InChi (Click to copy)
InChI=1S/C66H130O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-59(67)82-56-58(84-60(68)55-53-51-49-47-45-43-40-18-16-14-12-10-8-6-4-2)57-83-92(80,81)88-63-61(69)64(85-89(71,72)73)66(87-91(77,78)79)65(62(63)70)86-90(74,75)76/h18,40,58,61-66,69-70H,3-17,19-39,41-57H2,1-2H3,(H,80,81)(H2,71,72,73)(H2,74,75,76)(H2,77,78,79)/b40-18+/t58-,61?,62?,63-,64+,65?,66?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/CCCCCCCC)=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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O