In-Silico Structure Database (LMISSD)
Common Name
LPIP3[3',4',5'](29:0/0:0)
Systematic Name
1-nonacosanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09049ACA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
994.398617
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Monoacylglycerophosphoinositol trisphosphates [GP0904]
String Representations
InChiKey (Click to copy)
UKQKJOPSBHXBQT-GLBFVOEDSA-N
InChi (Click to copy)
InChI=1S/C38H78O21P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32(40)54-29-31(39)30-55-63(52,53)59-35-33(41)36(56-60(43,44)45)38(58-62(49,50)51)37(34(35)42)57-61(46,47)48/h31,33-39,41-42H,2-30H2,1H3,(H,52,53)(H2,43,44,45)(H2,46,47,48)(H2,49,50,51)/t31-,33?,34?,35-,36+,37?,38?/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O