In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](10:0/16:1(7Z))
Systematic Name
1-decanoyl-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AAJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
964.315282
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
WONHJRIFNVZOJD-ZOCKAAPLSA-N
InChi (Click to copy)
InChI=1S/C35H68O22P4/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-29(37)53-27(25-51-28(36)23-21-19-17-10-8-6-4-2)26-52-61(49,50)57-32-30(38)33(54-58(40,41)42)35(56-60(46,47)48)34(31(32)39)55-59(43,44)45/h14-15,27,30-35,38-39H,3-13,16-26H2,1-2H3,(H,49,50)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48)/b15-14-/t27-,30?,31?,32-,33+,34?,35?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=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