In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](18:1(9E)/28:0)
Systematic Name
1-(9E-octadecenoyl)-2-octacosanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019G2C
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1164.661949
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
HGFXRCJQYNOLHQ-CJKXDVTMSA-N
InChi (Click to copy)
InChI=1S/C55H107O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-44-49(57)71-47(45-69-48(56)43-41-39-37-35-33-31-29-18-16-14-12-10-8-6-4-2)46-70-77(67,68)74-55-51(59)53(72-75(61,62)63)50(58)54(52(55)60)73-76(64,65)66/h18,29,47,50-55,58-60H,3-17,19-28,30-46H2,1-2H3,(H,67,68)(H2,61,62,63)(H2,64,65,66)/b29-18+/t47-,50?,51?,52?,53-,54?,55-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C/CCCCCCCC)=O