input word = C00016888

Metabolite InformationStructural formula
Name Antibiotic HP 530C
Saptomycin C1
Formula C41H52N2O9
Mw 716.36728127
CAS RN 145678-62-2
C_ID C00016888 ,
InChIKey VWFVFHNESZVLJB-UHFFFAOYNA-N
InChICode InChI=1S/C41H52N2O9/c1-11-12-13-19(2)28-17-27(44)31-20(3)14-25-33(39(31)52-28)38(48)34-32(37(25)47)23(29-16-26(42(7)8)35(45)21(4)50-29)15-24(36(34)46)30-18-41(6,43(9)10)40(49)22(5)51-30/h11-12,14-15,17,19,21-22,26,29-30,35,40,45-46,49H,13,16,18H2,1-10H3/b12-11+/t19-,21-,22-,26-,29-,30-,35-,40-,41+/m0/s1
SMILES c1(cc(c2c(c1O)C(=O)c1c(C2=O)cc(c2c1oc(cc2=O)[C@@H](C)C/C=C/C)C)[C@@H]1C[C@@H]([C@H]([C@@H](O1)C)O)N(C)C)[C@H]1O[C@H]([C@@H]([C@@](C1)(N(C)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. HP530 Ref.
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