In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](36:0/39:0)
Systematic Name
1-hexatriacontanoyl-2-nonatriacontanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P1F
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1493.165116
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
HRPXMRVRLCYZMX-PQIORGCPSA-N
InChi (Click to copy)
InChI=1S/C84H166O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-78(86)98-76(75-97-102(94,95)100-84-81(89)79(87)80(88)83(82(84)90)99-101(91,92)93)74-96-77(85)72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h76,79-84,87-90H,3-75H2,1-2H3,(H,94,95)(H2,91,92,93)/t76-,79-,80?,81?,82?,83?,84-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O