In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](35:0/20:4(7E,10E,13E,16E))
Systematic Name
1-pentatriacontanoyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019PX7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1204.789516
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
RDJDVFQUXKQITC-QRKZNUJBSA-N
InChi (Click to copy)
InChI=1S/C64H118O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-38-40-42-44-46-48-50-52-57(65)76-54-56(55-77-82(74,75)80-64-61(69)59(67)60(68)63(62(64)70)79-81(71,72)73)78-58(66)53-51-49-47-45-43-41-39-36-20-18-16-14-12-10-8-6-4-2/h8,10,14,16,20,36,41,43,56,59-64,67-70H,3-7,9,11-13,15,17-19,21-35,37-40,42,44-55H2,1-2H3,(H,74,75)(H2,71,72,73)/b10-8+,16-14+,36-20+,43-41+/t56-,59-,60?,61?,62?,63?,64-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O