In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](24:4(5Z,8Z,11Z,14Z)/34:0)
Systematic Name
1-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-2-tetratriacontanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019O0E
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)
KCJSMRACOGBJSP-XYFDHHBBSA-N
InChi (Click to copy)
InChI=1S/C67H124O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-61(69)81-59(58-80-85(77,78)83-67-64(72)62(70)63(71)66(65(67)73)82-84(74,75)76)57-79-60(68)55-53-51-49-47-45-43-41-39-37-35-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,35,37,41,43,47,49,59,62-67,70-73H,3-19,21,23-34,36,38-40,42,44-46,48,50-58H2,1-2H3,(H,77,78)(H2,74,75,76)/b22-20-,37-35-,43-41-,49-47-/t59-,62-,63?,64?,65?,66?,67-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O