In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](17:2(9Z,12Z)/26:1(5Z))
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-(5Z-hexacosenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019A53
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1198.550032
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
OQZHNGWSYAEOEH-SMRXYRFISA-N
InChi (Click to copy)
InChI=1S/C52H98O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-46(54)70-44(42-68-45(53)40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2)43-69-78(66,67)74-49-47(55)50(71-75(57,58)59)52(73-77(63,64)65)51(48(49)56)72-76(60,61)62/h10,12,16,18,33,35,44,47-52,55-56H,3-9,11,13-15,17,19-32,34,36-43H2,1-2H3,(H,66,67)(H2,57,58,59)(H2,60,61,62)(H2,63,64,65)/b12-10-,18-16-,35-33-/t44-,47?,48?,49-,50+,51?,52?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=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\C/C=C\CCCC)=O