input word = C00014958

Metabolite InformationStructural formula
Name Clethramycin
Formula C63H99N3O18S
Mw 1217.66443411
CAS RN 639469-54-8
C_ID C00014958 ,
InChIKey OQRILZSNZMAVTK-MZAOIEPINA-N
InChICode InChI=1S/C63H99N3O18S/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(79)80)61(78)48(4)58(76)36-21-17-13-8-6-5-7-9-14-18-22-37-60(84-85(81,82)83)47(3)59(77)44-57(75)43-54(72)34-25-33-53(71)42-56(74)41-52(70)32-24-31-50(68)39-49(67)29-23-30-51(69)40-55(73)35-26-38-66-63(64)65/h5-10,12-14,16-25,27-29,32,34,36,45,47-58,60-61,67-76,78H,11,15,26,30-31,33,35,37-44H2,1-4H3,(H,79,80)(H4,64,65,66)(H,81,82,83)/b7-5+,8-6+,12-10+,14-9+,17-13+,20-16+,22-18+,27-19+,29-23+,32-24+,34-25+,36-21+,46-28+/t45-,47+,48-,49-,50-,51-,52-,53+,54+,55-,56+,57-,58-,60+,61+/m1/s1
SMILES NC(=N)NCCC[C@H](C[C@@H](C/C=C/[C@H](C[C@@H](C/C=C/[C@H](C[C@@H](C[C@H](C/C=C/[C@@H](C[C@H](CC(=O)[C@@H]([C@H](C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H]([C@H]([C@H]([C@@H](/C=C/CC/C=C/C=C/C=C(/C(=O)O)\C)C)O)C)O)OS(=O)(=O)O)C)O)O)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus TP-A0623 Ref.
BacteriaStreptomycetaceaeStreptomyces mediocidicus ATCC23936 Ref.
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