input word = C00018079

Metabolite InformationStructural formula
Name Antibiotic C 2801X
C 2801X
Takeda C 2801X
Formula C25H29N3O12S
Mw 595.14719414
CAS RN 56083-50-2
C_ID C00018079 ,
InChIKey NJZVVAVNQYLLCW-LAZUNMBONA-N
InChICode InChI=1S/C25H29N3O12S/c1-38-17(9-12-6-7-15(29)16(30)8-12)22(36)40-10-13-11-41-24-25(39-2,23(37)28(24)19(13)21(34)35)27-18(31)5-3-4-14(26)20(32)33/h6-9,14,24,29-30H,3-5,10-11,26H2,1-2H3,(H,27,31)(H,32,33)(H,34,35)/b17-9-/t14-,24-,25+/m1/s1
SMILES [C@]1(C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)/C(=C/c1cc(O)c(cc1)O)/OC)(OC)NC(=O)CCC[C@H](C(=O)O)N
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces heteromorphus Ref.
zoom in