In-Silico Structure Database (LMISSD)
Common Name
PI(13:0/33:0)
Systematic Name
1-tridecanoyl-2-tritriacontanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06019AJB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1006.744933
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
Diacylglycerophosphoinositols [GP0601]
String Representations
InChiKey (Click to copy)
CDKRIKJQEPJPJW-SKBDTYKBSA-N
InChi (Click to copy)
InChI=1S/C55H107O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-49(57)67-47(45-65-48(56)43-41-39-37-35-14-12-10-8-6-4-2)46-66-69(63,64)68-55-53(61)51(59)50(58)52(60)54(55)62/h47,50-55,58-62H,3-46H2,1-2H3,(H,63,64)/t47-,50?,51-,52?,53?,54?,55-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCCCCC)=O