In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](37:0/11:0)
Systematic Name
1-heptatriacontanoyl-2-undecanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P1H
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1114.742566
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
KHNLKLBXXXLOQY-BMRRAAMKSA-N
InChi (Click to copy)
InChI=1S/C57H112O16P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41-43-45-50(58)69-47-49(71-51(59)46-44-42-39-12-10-8-6-4-2)48-70-75(67,68)73-57-54(62)52(60)53(61)56(55(57)63)72-74(64,65)66/h49,52-57,60-63H,3-48H2,1-2H3,(H,67,68)(H2,64,65,66)/t49-,52-,53?,54?,55?,56?,57-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O