In-Silico Structure Database (LMISSD)
Common Name
PI(39:0/38:0)
Systematic Name
1-nonatriacontanoyl-2-octatriacontanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06019FLL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1441.230083
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
Diacylglycerophosphoinositols [GP0601]
String Representations
InChiKey (Click to copy)
FSJCARVDYZBCJP-XRHSOMNESA-N
InChi (Click to copy)
InChI=1S/C86H169O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-79(87)96-76-78(77-97-100(94,95)99-86-84(92)82(90)81(89)83(91)85(86)93)98-80(88)75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h78,81-86,89-93H,3-77H2,1-2H3,(H,94,95)/t78-,81?,82-,83?,84?,85?,86-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O