In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](16:1(7Z)/15:0)
Systematic Name
1-(7Z-hexadecenoyl)-2-pentadecanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AU7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1034.393532
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
DQMSMCZELXWASC-NGBRNTKOSA-N
InChi (Click to copy)
InChI=1S/C40H78O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(41)56-30-32(58-34(42)29-27-25-23-21-18-16-14-12-10-8-6-4-2)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/h17,19,32,35-40,43-44H,3-16,18,20-31H2,1-2H3,(H,54,55)(H2,45,46,47)(H2,48,49,50)(H2,51,52,53)/b19-17-/t32-,35?,36?,37-,38+,39?,40?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCC)=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(CCCCC/C=C\CCCCCCCC)=O