input word = C00044616

Metabolite InformationStructural formula
Name Catacerebroside C
Formula C48H93NO11
Mw 859.67486282
CAS RN 593261-20-2
C_ID C00044616 ,
InChIKey IUDRSGVTSFBWPF-BXKIHSQSNA-N
InChICode InChI=1S/C48H93NO11/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(52)43(54)47(58)49-38(37-59-48-46(57)45(56)44(55)41(36-50)60-48)42(53)39(51)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h13,15,38-46,48,50-57H,3-12,14,16-37H2,1-2H3,(H,49,58)/b15-13-/t38-,39+,40-,41+,42-,43+,44+,45-,46+,48+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(=O)[C@H](O)[C@H](CCCCCCCCCCCCC/C=C\CCCCCC)O)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
FungiTricholomataceaeCatathelasma ventricosa Ref.
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