In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](35:0/26:1(5Z))
Systematic Name
1-pentatriacontanoyl-2-(5Z-hexacosenoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019PYO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1294.930366
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
NKMMWMGNDLIYHI-YPPJCCRJSA-N
InChi (Click to copy)
InChI=1S/C70H136O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-37-38-40-42-44-46-48-50-52-54-56-58-63(71)82-60-62(61-83-88(80,81)86-70-67(75)65(73)66(74)69(68(70)76)85-87(77,78)79)84-64(72)59-57-55-53-51-49-47-45-43-41-39-36-26-24-22-20-18-16-14-12-10-8-6-4-2/h51,53,62,65-70,73-76H,3-50,52,54-61H2,1-2H3,(H,80,81)(H2,77,78,79)/b53-51-/t62-,65-,66?,67?,68?,69?,70-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O