In-Silico Structure Database (LMISSD)
Common Name
LPIP3[3',4',5'](26:1(5Z)/0:0)
Systematic Name
1-(5Z-hexacosenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09049AB4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
950.336017
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Monoacylglycerophosphoinositol trisphosphates [GP0904]
String Representations
InChiKey (Click to copy)
NYKCUFKAVRMYTF-SNXOEESSSA-N
InChi (Click to copy)
InChI=1S/C35H70O21P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29(37)51-26-28(36)27-52-60(49,50)56-32-30(38)33(53-57(40,41)42)35(55-59(46,47)48)34(31(32)39)54-58(43,44)45/h21-22,28,30-36,38-39H,2-20,23-27H2,1H3,(H,49,50)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48)/b22-21-/t28-,30?,31?,32-,33+,34?,35?/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(CCC/C=CCCCCCCCCCCCCCCCCCCCC)=O