In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](38:0/18:3(9Z,12Z,15Z))
Systematic Name
1-octatriacontanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P4M
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1220.820816
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
BLRXXTDRTRWZOZ-DGODOEGHSA-N
InChi (Click to copy)
InChI=1S/C65H122O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41-43-45-47-49-51-53-58(66)77-55-57(79-59(67)54-52-50-48-46-44-42-39-18-16-14-12-10-8-6-4-2)56-78-83(75,76)81-65-62(70)60(68)61(69)64(63(65)71)80-82(72,73)74/h6,8,12,14,18,39,57,60-65,68-71H,3-5,7,9-11,13,15-17,19-38,40-56H2,1-2H3,(H,75,76)(H2,72,73,74)/b8-6-,14-12-,39-18-/t57-,60-,61?,62?,63?,64?,65-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O