In-Silico Structure Database (LMISSD)
Common Name
LPIP3[3',4',5'](30:0/0:0)
Systematic Name
1-triacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09049ACB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1008.414267
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Monoacylglycerophosphoinositol trisphosphates [GP0904]
String Representations
InChiKey (Click to copy)
LJSDBHYZHQBGCB-OBJXJQIOSA-N
InChi (Click to copy)
InChI=1S/C39H80O21P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33(41)55-30-32(40)31-56-64(53,54)60-36-34(42)37(57-61(44,45)46)39(59-63(50,51)52)38(35(36)43)58-62(47,48)49/h32,34-40,42-43H,2-31H2,1H3,(H,53,54)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)/t32-,34?,35?,36-,37+,38?,39?/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O