In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](16:1(9Z)/37:0)
Systematic Name
1-(9Z-hexadecenoyl)-2-heptatriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AZK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1342.737832
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
TYKPSVFDQFLLOQ-GLEUXKBGSA-N
InChi (Click to copy)
InChI=1S/C62H122O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-56(64)80-54(52-78-55(63)50-48-46-44-42-40-38-16-14-12-10-8-6-4-2)53-79-88(76,77)84-59-57(65)60(81-85(67,68)69)62(83-87(73,74)75)61(58(59)66)82-86(70,71)72/h14,16,54,57-62,65-66H,3-13,15,17-53H2,1-2H3,(H,76,77)(H2,67,68,69)(H2,70,71,72)(H2,73,74,75)/b16-14-/t54-,57?,58?,59-,60+,61?,62?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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(CCCCCCC/C=C\CCCCCC)=O