In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](39:0/20:3(5Z,8Z,11Z))
Systematic Name
1-nonatriacontanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P68
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1262.867766
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
GWUODCUTLCBLCR-YGMGZUGASA-N
InChi (Click to copy)
InChI=1S/C68H128O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-61(69)80-58-60(59-81-86(78,79)84-68-65(73)63(71)64(72)67(66(68)74)83-85(75,76)77)82-62(70)57-55-53-51-49-47-45-43-40-20-18-16-14-12-10-8-6-4-2/h18,20,43,45,49,51,60,63-68,71-74H,3-17,19,21-42,44,46-48,50,52-59H2,1-2H3,(H,78,79)(H2,75,76,77)/b20-18-,45-43-,51-49-/t60-,63-,64?,65?,66?,67?,68-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O