input word = C00046813

Metabolite InformationStructural formula
Name Malformin C
Formula C23H39N5O5S2
Mw 529.23926085
CAS RN 59926-78-2
C_ID C00046813 ,
InChIKey TZODYIWCRGWHQB-UHFFFAOYNA-N
InChICode InChI=1S/C23H39N5O5S2/c1-11(2)7-14-20(30)26-16-9-34-35-10-17(27-21(16)31)22(32)28-18(13(5)6)23(33)25-15(8-12(3)4)19(29)24-14/h11-18H,7-10H2,1-6H3,(H,24,29)(H,25,33)(H,26,30)(H,27,31)(H,28,32)/t14-,15+,16-,17-,18-/m1/s1
SMILES C1(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]2NC(=O)[C@H](N1)CSSC2)C(C)C)CC(C)C)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus niger Ref.
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OrganismAspergillus niger
ReferenceVaroglu,J.Nat.Prod.,63,(2000),41