In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
Systematic Name
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019MZM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
932.445216
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
BZODLSSAZOTWBN-WTNXTKQCSA-N
InChi (Click to copy)
InChI=1S/C45H74O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h5,7,11-14,17-20,23-26,37,40-45,48-51H,3-4,6,8-10,15-16,21-22,27-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t37-,40-,41?,42?,43?,44?,45-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O