In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](35:0/21:0)
Systematic Name
1-pentatriacontanoyl-2-heneicosanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019PX9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1226.867766
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
BTBUUZQWOZHFDS-SEAPTYHFSA-N
InChi (Click to copy)
InChI=1S/C65H128O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-53-58(66)77-55-57(56-78-83(75,76)81-65-62(70)60(68)61(69)64(63(65)71)80-82(72,73)74)79-59(67)54-52-50-48-46-44-42-40-37-22-20-18-16-14-12-10-8-6-4-2/h57,60-65,68-71H,3-56H2,1-2H3,(H,75,76)(H2,72,73,74)/t57-,60-,61?,62?,63?,64?,65-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O