(Q105345560)

English

Senfolomycin A

group of stereoisomers with the chemical formula C₂₉H₃₆N₂O₁₆S

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

700.178554072 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆N₂O₁₆S

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canonical SMILES

O=C(O)C=1C(=N)C(=O)CC(O)(C1O)C2OC(COC(=O)C)C(OC(=O)C(N=C=S)=CC)C(OC3OC(C)C(O)(C(=O)C)C(OC)C3)C2O

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isomeric SMILES

C/C=C(\N=C=S)C(=O)OC1C(COC(C)=O)OC(C2(O)CC(=O)C(=N)C(C(=O)O)=C2O)C(O)C1OC1CC(OC)C(O)(C(C)=O)C(C)O1

1 reference

1 reference

New insights into paulomycin biosynthesis pathway in Streptomyces albus J1074 and generation of novel derivatives by combinatorial biosynthesis

Identifiers

InChI

InChI=1S/C29H36N2O16S/c1-6-14(31-10-48)27(39)47-22-16(9-43-13(4)33)45-25(28(40)8-15(34)20(30)19(24(28)36)26(37)38)21(35)23(22)46-18-7-17(42-5)29(41,11(2)32)12(3)44-18/h6,12,16-18,21-23,25,30,35-36,40-41H,7-9H2,1-5H3,(H,37,38)/b14-6-,30-20?

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InChIKey

YASNRWMRDSCJIV-HHIRRDRHSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105345560)

Senfolomycin A

Statements

Identifiers

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