In-Silico Structure Database (LMISSD)
Common Name
LPIP3[3',4',5'](25:0/0:0)
Systematic Name
1-pentacosanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09049AB2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
938.336017
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Monoacylglycerophosphoinositol trisphosphates [GP0904]
String Representations
InChiKey (Click to copy)
MPBISPMSGTXMHX-ONELZETQSA-N
InChi (Click to copy)
InChI=1S/C34H70O21P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(36)50-25-27(35)26-51-59(48,49)55-31-29(37)32(52-56(39,40)41)34(54-58(45,46)47)33(30(31)38)53-57(42,43)44/h27,29-35,37-38H,2-26H2,1H3,(H,48,49)(H2,39,40,41)(H2,42,43,44)(H2,45,46,47)/t27-,29?,30?,31-,32+,33?,34?/m1/s1
SMILES (Click to copy)
[C@]([H])(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(CCCCCCCCCCCCCCCCCCCCCCCC)=O