input word = C00032744

Metabolite InformationStructural formula
Name Astrocerebroside B
Formula C44H85NO10
Mw 787.61734794
CAS RN 122823-41-0
C_ID C00032744 ,
InChIKey KNECUDKPEXKDOZ-PFDKOXQTNA-N
InChICode InChI=1S/C44H85NO10/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-36(47)39(49)35(34-54-44-42(52)41(51)40(50)38(33-46)55-44)45-43(53)37(48)32-30-28-26-24-21-16-14-12-10-8-6-4-2/h22-23,35-42,44,46-52H,3-21,24-34H2,1-2H3,(H,45,53)/b23-22+/t35-,36+,37+,38+,39-,40+,41-,42-,44-/m1/s1
SMILES O([C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)C[C@H]([C@H]([C@H](CCCC/C=C/CCCCCCCCCCCC)O)O)NC(=O)[C@@H](O)CCCCCCCCCCCCCC
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