In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](11:0/33:0)
Systematic Name
1-undecanoyl-2-tritriacontanoyl-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019AEP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1058.679966
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
SVCTUUBHHFAIDP-ZNIPSIBBSA-N
InChi (Click to copy)
InChI=1S/C53H104O16P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-47(55)67-45(43-65-46(54)41-39-37-35-12-10-8-6-4-2)44-66-71(63,64)69-53-50(58)48(56)49(57)52(51(53)59)68-70(60,61)62/h45,48-53,56-59H,3-44H2,1-2H3,(H,63,64)(H2,60,61,62)/t45-,48?,49?,50?,51?,52-,53+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCC)=O