input word = C00018452

Metabolite InformationStructural formula
Name Antibiotic OA 6129C
OA 6129C
Formula C20H31N3O11S2
Mw 553.14000032
CAS RN 82475-09-0
C_ID C00018452 ,
InChIKey GRWWKENHBQJAML-KGMAWFKINA-N
InChICode InChI=1S/C20H31N3O11S2/c1-10(34-36(31,32)33)14-11-8-12(15(19(29)30)23(11)18(14)28)35-7-6-21-13(25)4-5-22-17(27)16(26)20(2,3)9-24/h10-11,14,16,24,26H,4-9H2,1-3H3,(H,21,25)(H,22,27)(H,29,30)(H,31,32,33)/t10-,11+,14-,16-/m0/s1
SMILES [C@H]1(C(=O)N2[C@@H]1CC(=C2C(=O)O)SCCNC(=O)CCNC(=O)[C@@H](C(CO)(C)C)O)[C@H](C)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. OA-6129 Ref.
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