In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](13:0/18:4(9E,11E,13E,15E))
Systematic Name
1-tridecanoyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AH4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1028.346582
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
INLKJBSIBQSIOQ-GGSHOGDGSA-N
InChi (Click to copy)
InChI=1S/C40H72O22P4/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-34(42)58-32(30-56-33(41)28-26-24-22-20-14-12-10-8-6-4-2)31-57-66(54,55)62-37-35(43)38(59-63(45,46)47)40(61-65(51,52)53)39(36(37)44)60-64(48,49)50/h5,7,9,11,13,15-17,32,35-40,43-44H,3-4,6,8,10,12,14,18-31H2,1-2H3,(H,54,55)(H2,45,46,47)(H2,48,49,50)(H2,51,52,53)/b7-5+,11-9+,15-13+,17-16+/t32-,35?,36?,37-,38+,39?,40?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=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(CCCCCCCCCCCC)=O