input word = C00016100

Metabolite InformationStructural formula
Name 3874H3
Antibiotic 3874H3
Formula C57H87NO18
Mw 1073.59231498
CAS RN 204858-14-0
C_ID C00016100 ,
InChIKey UYVZDFZITZQRHC-COCBXAOENA-N
InChICode InChI=1S/C57H87NO18/c1-5-6-17-22-39(59)28-42(62)27-26-37(3)54-36(2)21-18-15-13-11-9-7-8-10-12-14-16-19-25-46(74-56-53(69)51(58)52(68)38(4)73-56)33-48-50(55(70)71)47(66)35-57(72,76-48)34-45(65)31-43(63)29-40(60)23-20-24-41(61)30-44(64)32-49(67)75-54/h5-19,21-22,25,36-38,40-48,50-54,56,60-66,68-69,72H,20,23-24,26-35,58H2,1-4H3,(H,70,71)/b6-5+,8-7+,11-9+,12-10+,15-13+,16-14+,21-18+,22-17+,25-19+/t36-,37-,38+,40+,41+,42-,43+,44-,45-,46-,47+,48-,50-,51+,52+,53+,54+,56+,57-/m1/s1
SMILES C1(=O)O[C@@H]([C@@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C[C@H]2O[C@@](C[C@@H](C[C@H](C[C@H](CCC[C@@H](C[C@H](C1)O)O)O)O)O)(O)C[C@@H]([C@H]2C(=O)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)N)O)C)[C@@H](CC[C@H](CC(=O)/C=C/C=C/C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. HAG 003874 Ref.
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