In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](36:0/26:2(5Z,9E))
Systematic Name
1-hexatriacontanoyl-2-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P01
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1306.930366
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
MWHQSYVBPAUXPG-BBQNGGMXSA-N
InChi (Click to copy)
InChI=1S/C71H136O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-53-55-57-59-64(72)83-61-63(62-84-89(81,82)87-71-68(76)66(74)67(75)70(69(71)77)86-88(78,79)80)85-65(73)60-58-56-54-52-50-48-46-44-42-40-37-26-24-22-20-18-16-14-12-10-8-6-4-2/h44,46,52,54,63,66-71,74-77H,3-43,45,47-51,53,55-62H2,1-2H3,(H,81,82)(H2,78,79,80)/b46-44+,54-52-/t63-,66-,67?,68?,69?,70?,71-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O