input word = C00032803

Metabolite InformationStructural formula
Name CE-2b
Cerebroside CE 2b
Formula C45H87NO9
Mw 785.63808338
CAS RN 153821-87-5
C_ID C00032803 ,
InChIKey ROTYLZZYYWCXHR-IOBOVLCANA-N
InChICode InChI=1S/C45H87NO9/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-33-39(49)44(53)46-37(35-54-45-43(52)42(51)41(50)40(34-47)55-45)38(48)32-29-26-23-21-20-22-25-28-31-36(3)5-2/h29,32,36-43,45,47-52H,4-28,30-31,33-35H2,1-3H3,(H,46,53)/b32-29+/t36-,37+,38-,39-,40-,41-,42+,43-,45-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H](/C=C/CCCCCCCC[C@@H](CC)C)O)NC(=O)[C@@H](CCCCCCCCCCCCCCCCCCCC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
AnimaliaLuidiidaeLuidia maculata Ref.
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OrganismLuidia maculata
ReferenceKawatake,Chem.Pharm.Bull.,52,(2004),1092