input word = C00016892

Metabolite InformationStructural formula
Name Antibiotic HP 530C2
Saptomycin C2
Formula C43H54N2O10
Mw 758.37784596
CAS RN 149997-92-2
C_ID C00016892 ,
InChIKey VJRBWRXAMBANIM-UHFFFAOYNA-N
InChICode InChI=1S/C43H54N2O10/c1-12-13-14-20(2)30-18-29(47)33-21(3)15-27-35(41(33)55-30)40(51)36-34(39(27)50)25(31-17-28(44(8)9)37(48)22(4)52-31)16-26(38(36)49)32-19-43(7,45(10)11)42(23(5)53-32)54-24(6)46/h12-13,15-16,18,20,22-23,28,31-32,37,42,48-49H,14,17,19H2,1-11H3/b13-12+/t20-,22+,23+,28-,31-,32-,37-,42+,43+/m0/s1
SMILES CC=CCC(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c(C2CC(C)(N(C)C)C(OC(C)=O)C(C)O2)cc(C2CC(N(C)C)C(O)C(C)O2)c1C3=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. HP530 Ref.
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OrganismStreptomyces sp. HP530
ReferenceAbe,J.Antibiotics,46,(1993),1530