input word = C00032804

Metabolite InformationStructural formula
Name CE-3-2
Cerebroside CE 3-2
Formula C45H89NO10
Mw 803.64864807
CAS RN 204199-70-2
C_ID C00032804 ,
InChIKey YCNJUALTJHZPNL-ZWSDRRENNA-N
InChICode InChI=1S/C45H89NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-38(49)44(54)46-36(34-55-45-43(53)42(52)41(51)39(33-47)56-45)40(50)37(48)31-28-25-23-20-21-24-27-30-35(3)5-2/h35-43,45,47-53H,4-34H2,1-3H3,(H,46,54)/t35-,36+,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@@H](CCCCCCCCC[C@@H](CC)C)O)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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