In-Silico Structure Database (LMISSD)
Common Name
PI(O-16:1(9Z)/34:0)
Systematic Name
1-(9Z-hexadecenyl)-2-tetratriacontanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06029ALN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1046.812618
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
IMRXEFHWVXQUIR-XFMVTJEVSA-N
InChi (Click to copy)
InChI=1S/C59H115O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-53(60)70-52(50-68-49-47-45-43-41-39-37-18-16-14-12-10-8-6-4-2)51-69-72(66,67)71-59-57(64)55(62)54(61)56(63)58(59)65/h14,16,52,54-59,61-65H,3-13,15,17-51H2,1-2H3,(H,66,67)/b16-14-/t52-,54?,55-,56?,57?,58?,59-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCC/C=C\CCCCCC