In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](10:0/13:0)
Systematic Name
1-decanoyl-2-tridecanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AAD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
924.283982
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
VAKLRKKUIVFMPQ-KGIRZUKDSA-N
InChi (Click to copy)
InChI=1S/C32H64O22P4/c1-3-5-7-9-11-12-13-15-17-19-21-26(34)50-24(22-48-25(33)20-18-16-14-10-8-6-4-2)23-49-58(46,47)54-29-27(35)30(51-55(37,38)39)32(53-57(43,44)45)31(28(29)36)52-56(40,41)42/h24,27-32,35-36H,3-23H2,1-2H3,(H,46,47)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)/t24-,27?,28?,29-,30+,31?,32?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCC)=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