In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](17:1(9Z)/18:1(9E))
Systematic Name
1-(9Z-heptadecenoyl)-2-(9E-octadecenoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019A2K
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
928.507816
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
MWOLJYLNJKOPDR-LWYLSBTPSA-N
InChi (Click to copy)
InChI=1S/C44H82O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)58-36(34-56-37(45)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-57-62(54,55)60-44-41(49)39(47)40(48)43(42(44)50)59-61(51,52)53/h16-19,36,39-44,47-50H,3-15,20-35H2,1-2H3,(H,54,55)(H2,51,52,53)/b18-16-,19-17+/t36-,39?,40?,41?,42?,43-,44+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCC/C=C\CCCCCCC)=O