input word = C00016131

Metabolite InformationStructural formula
Name Zelkovamycin
Formula C36H45N9O9S
Mw 779.30609483
CAS RN 221197-33-7
C_ID C00016131 ,
InChIKey VYMRECQGDKKGCJ-AQHIEDMUNA-N
InChICode InChI=1S/C36H45N9O9S/c1-8-22-30(49)41-23(9-2)34(52)45(6)16-28(48)39-18(3)33-43-25(17-55-33)31(50)42-24(13-20-14-37-29-21(20)11-10-12-26(29)54-7)32(51)44-36(5,19(4)46)35(53)38-15-27(47)40-22/h9-12,14,17-18,22,24,37H,8,13,15-16H2,1-7H3,(H,38,53)(H,39,48)(H,40,47)(H,41,49)(H,42,50)(H,44,51)/b23-9-/t18-,22-,24-,36+/m1/s1
SMILES N1C(=O)[C@H](NC(=O)CNC(=O)[C@](NC(=O)[C@H](NC(=O)c2nc([C@H](NC(=O)CN(C(=O)/C/1=C/C)C)C)sc2)Cc1c[nH]c2c1cccc2OC)(C)C(=O)C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. K96-0670 Ref.
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