In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](18:3(9Z,12Z,15Z)/16:1(7Z))
Systematic Name
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019MWQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
910.460866
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
NDMNCLKPKHQBSZ-AZYCSSIBSA-N
InChi (Click to copy)
InChI=1S/C43H76O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h5,7,11,13,17-19,22,35,38-43,46-49H,3-4,6,8-10,12,14-16,20-21,23-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,13-11-,18-17-,22-19-/t35-,38-,39?,40?,41?,42?,43-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O