(Q105278517)

English

3-{4-[(5-acetyl-5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3-hydroxy-6-(hydroxymethyl)-5-{[(2Z)-2-isothiocyanatobut-2-enoyl]oxy}oxan-2-yl}-2,3-dihydroxy-6-imino-5-oxocyclohex-1-ene-1-carboxylic acid

group of stereoisomers with the chemical formula C₂₇H₃₄N₂O₁₅S

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instance of

group of stereoisomers

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chemical compound

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mass

658.167989388 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄N₂O₁₅S

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canonical SMILES

O=C(O)C=1C(=N)C(=O)CC(O)(C1O)C2OC(CO)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(CO)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/C27H34N2O15S/c1-5-12(29-9-45)25(37)44-20-14(8-30)42-23(26(38)7-13(32)18(28)17(22(26)34)24(35)36)19(33)21(20)43-16-6-15(40-4)27(39,10(2)31)11(3)41-16/h5,11,14-16,19-21,23,28,30,33-34,38-39H,6-8H2,1-4H3,(H,35,36)/b12-5-,28-18?

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InChIKey

USULNIAYVVGQPZ-ITVONCJVSA-N

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(Q105278517)

3-{4-[(5-acetyl-5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3-hydroxy-6-(hydroxymethyl)-5-{[(2Z)-2-isothiocyanatobut-2-enoyl]oxy}oxan-2-yl}-2,3-dihydroxy-6-imino-5-oxocyclohex-1-ene-1-carboxylic acid

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