input word = C00044850

Metabolite InformationStructural formula
Name KRN-7000
(+)-KRN-7000
Formula C50H99NO9
Mw 857.73198377
CAS RN 158021-47-7
C_ID C00044850 ,
InChIKey VQFKFAKEUMHBLV-TUVRQMRRNA-N
InChICode InChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1
SMILES [C@H]([C@@H](O)[C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas mauritianus Ref.
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OrganismAgelas mauritianus
ReferenceNewman,J.Nat.Prod.,67,(2004),1216