input word = C00017676

Metabolite InformationStructural formula
Name Nikkomycin pseudo-J
Formula C25H32N6O13
Mw 624.20273516
CAS RN 120796-22-7
C_ID C00017676 ,
InChIKey ZWCOQJINVKEJCM-UHFFFAOYNA-N
InChICode InChI=1S/C25H32N6O13/c1-8(16(35)11-3-2-9(32)6-27-11)14(26)22(39)30-15(23(40)29-12(24(41)42)4-5-13(33)34)20-18(37)17(36)19(44-20)10-7-28-25(43)31-21(10)38/h2-3,6-8,12,14-20,32,35-37H,4-5,26H2,1H3,(H,29,40)(H,30,39)(H,33,34)(H,41,42)(H2,28,31,38,43)/t8-,12-,14-,15-,16-,17-,18+,19-,20+/m1/s1
SMILES c1(=O)[nH]c(=O)c(c[nH]1)[C@@H]1[C@@H]([C@@H]([C@@H](O1)[C@H](C(=O)N[C@@H](C(=O)O)CCC(=O)O)NC(=O)[C@H](N)[C@@H](C)[C@@H](O)c1ncc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces tendae T.901/PF 53+-3 Ref.
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