In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](33:0/18:2(9E,11E))
Systematic Name
1-tritriacontanoyl-2-(9E,11E-octadecadienoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019E58
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1312.690882
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
ZBBHPXIGNYWLQW-PRJRADJVSA-N
InChi (Click to copy)
InChI=1S/C60H116O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-53(61)76-50-52(78-54(62)49-47-45-43-41-39-37-34-18-16-14-12-10-8-6-4-2)51-77-86(74,75)82-57-55(63)58(79-83(65,66)67)60(81-85(71,72)73)59(56(57)64)80-84(68,69)70/h14,16,18,34,52,55-60,63-64H,3-13,15,17,19-33,35-51H2,1-2H3,(H,74,75)(H2,65,66,67)(H2,68,69,70)(H2,71,72,73)/b16-14+,34-18+/t52-,55?,56?,57-,58+,59?,60?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O