input word = C00015177

Metabolite InformationStructural formula
Name Malformin A1
Formula C23H39N5O5S2
Mw 529.23926085
CAS RN 3022-92-2
C_ID C00015177 ,
InChIKey RNCGDQLZIATDOU-UHFFFAOYNA-N
InChICode InChI=1S/C23H39N5O5S2/c1-7-13(6)18-23(33)26-15-9-34-35-10-16(25-20(15)30)21(31)27-17(12(4)5)22(32)24-14(8-11(2)3)19(29)28-18/h11-18H,7-10H2,1-6H3,(H,24,32)(H,25,30)(H,26,33)(H,27,31)(H,28,29)/t13-,14-,15+,16+,17+,18+/m0/s1
SMILES N1[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H]2C(=O)N[C@@H](C1=O)CSSC2)[C@@H](C)CC)CC(C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus niger F7586 Ref.
FungiTrichocomaceaeAspergillus tubingensis Ref.
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