input word = C00044622

Metabolite InformationStructural formula
Name Cerebroside B
Formula C41H77NO9
Mw 727.55983306
CAS RN 88642-46-0
C_ID C00044622 ,
InChIKey YBSQGNFRWZKFMJ-PUPNOQJXNA-N
InChICode InChI=1S/C41H77NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h25,27-28,33-39,41,43-48H,4-24,26,29-31H2,1-3H3,(H,42,49)/b28-25+,32-27+/t33-,34+,35+,36+,37+,38-,39+,41+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]([C@@H](/C=C/CC/C=C(/CCCCCCCCC)\C)O)NC(=O)[C@@H](CCCCCCCCCCCCCC)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.
FungiTricholomataceaeClitocybe spp. Ref.
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