In-Silico Structure Database (LMISSD)
Common Name
PI(P-20:0/15:0)
Systematic Name
1-(1Z-eicosenyl)-2-pentadecanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06039AOA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
836.577868
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-(1Z-alkenyl),2-acylglycerophosphoinositols [GP0603]
String Representations
InChiKey (Click to copy)
BWDWZVKBEQXGRO-RAMDTGQWSA-N
InChi (Click to copy)
InChI=1S/C44H85O12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-53-35-37(55-38(45)33-31-29-27-25-23-16-14-12-10-8-6-4-2)36-54-57(51,52)56-44-42(49)40(47)39(46)41(48)43(44)50/h32,34,37,39-44,46-50H,3-31,33,35-36H2,1-2H3,(H,51,52)/b34-32-/t37-,39?,40-,41?,42?,43?,44-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO/C=C\CCCCCCCCCCCCCCCCCC