In-Silico Structure Database (LMISSD)
Common Name
PIP[4'](20:4(5Z,8Z,10E,14Z)/38:0)
Systematic Name
1-(5Z,8Z,10E,14Z-eicosatetraenoyl)-2-octatriacontanoyl-sn-glycero-3-phosphoinositol-4-phosphate
LM ID
LMGP07019IJN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1246.836466
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
SPFZMHHQNPGZDC-SGGVILMASA-N
InChi (Click to copy)
InChI=1S/C67H124O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-61(69)81-59(58-80-85(77,78)83-67-64(72)62(70)66(63(71)65(67)73)82-84(74,75)76)57-79-60(68)55-53-51-49-47-45-43-41-39-20-18-16-14-12-10-8-6-4-2/h12,14,20,39,41,43,47,49,59,62-67,70-73H,3-11,13,15-19,21-38,40,42,44-46,48,50-58H2,1-2H3,(H,77,78)(H2,74,75,76)/b14-12-,39-20+,43-41-,49-47-/t59-,62+,63?,64?,65?,66?,67-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(O)C1O)COC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O