In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](29:0/17:2(9Z,12Z))
Systematic Name
1-nonacosanoyl-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019EWN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1082.679966
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
IDDAEXDLDKMHCZ-BMMXQQFCSA-N
InChi (Click to copy)
InChI=1S/C55H104O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-48(56)67-45-47(69-49(57)44-42-40-38-36-34-31-18-16-14-12-10-8-6-4-2)46-68-73(65,66)71-55-52(60)50(58)51(59)54(53(55)61)70-72(62,63)64/h10,12,16,18,47,50-55,58-61H,3-9,11,13-15,17,19-46H2,1-2H3,(H,65,66)(H2,62,63,64)/b12-10-,18-16-/t47-,50?,51?,52?,53?,54-,55+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O