In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](37:0/14:0)
Systematic Name
1-heptatriacontanoyl-2-tetradecanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P1K
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1156.789516
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
WENUVVXUZDXEMJ-MRHUEJRFSA-N
InChi (Click to copy)
InChI=1S/C60H118O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-53(61)72-50-52(74-54(62)49-47-45-43-41-38-14-12-10-8-6-4-2)51-73-78(70,71)76-60-57(65)55(63)56(64)59(58(60)66)75-77(67,68)69/h52,55-60,63-66H,3-51H2,1-2H3,(H,70,71)(H2,67,68,69)/t52-,55-,56?,57?,58?,59?,60-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O