In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](10:0/12:0)
Systematic Name
1-decanoyl-2-dodecanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AAC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
910.268332
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
GVUUCPKOUIRQJN-RLHPQTBOSA-N
InChi (Click to copy)
InChI=1S/C31H62O22P4/c1-3-5-7-9-11-12-14-16-18-20-25(33)49-23(21-47-24(32)19-17-15-13-10-8-6-4-2)22-48-57(45,46)53-28-26(34)29(50-54(36,37)38)31(52-56(42,43)44)30(27(28)35)51-55(39,40)41/h23,26-31,34-35H,3-22H2,1-2H3,(H,45,46)(H2,36,37,38)(H2,39,40,41)(H2,42,43,44)/t23-,26?,27?,28-,29+,30?,31?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC)=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(CCCCCCCCC)=O