In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](16:1(7Z)/29:0)
Systematic Name
1-(7Z-hexadecenoyl)-2-nonacosanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AW1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1230.612632
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
VEHINFFDJZNSIQ-JHYPISJRSA-N
InChi (Click to copy)
InChI=1S/C54H106O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-48(56)72-46(44-70-47(55)42-40-38-36-34-32-30-16-14-12-10-8-6-4-2)45-71-80(68,69)76-51-49(57)52(73-77(59,60)61)54(75-79(65,66)67)53(50(51)58)74-78(62,63)64/h30,32,46,49-54,57-58H,3-29,31,33-45H2,1-2H3,(H,68,69)(H2,59,60,61)(H2,62,63,64)(H2,65,66,67)/b32-30-/t46-,49?,50?,51-,52+,53?,54?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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(CCCCC/C=C\CCCCCCCC)=O