In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](27:0/35:0)
Systematic Name
1-heptacosanoyl-2-pentatriacontanoyl-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019ETU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1310.961666
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
BMBDMTBRPGBMOY-YEUPGLDHSA-N
InChi (Click to copy)
InChI=1S/C71H140O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-65(73)85-63(62-84-89(81,82)87-71-68(76)66(74)67(75)70(69(71)77)86-88(78,79)80)61-83-64(72)59-57-55-53-51-49-47-45-43-41-39-37-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h63,66-71,74-77H,3-62H2,1-2H3,(H,81,82)(H2,78,79,80)/t63-,66?,67?,68?,69?,70-,71+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O