In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](17:1(9Z)/34:0)
Systematic Name
1-(9Z-heptadecenoyl)-2-tetratriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019A33
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1314.706532
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
CTWGWVTVGJUHPM-DEDFRXCTSA-N
InChi (Click to copy)
InChI=1S/C60H118O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-54(62)78-52(50-76-53(61)48-46-44-42-40-38-36-18-16-14-12-10-8-6-4-2)51-77-86(74,75)82-57-55(63)58(79-83(65,66)67)60(81-85(71,72)73)59(56(57)64)80-84(68,69)70/h16,18,52,55-60,63-64H,3-15,17,19-51H2,1-2H3,(H,74,75)(H2,65,66,67)(H2,68,69,70)(H2,71,72,73)/b18-16-/t52-,55?,56?,57-,58+,59?,60?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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\CCCCCCC)=O