(Q63393054)

English

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E,3R)-3-hydroxy-3-phenyl-N-sulfooxypropanimidothioate

chemical compound

In more languages

Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from SMILES

439.0606878719999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

[(E)-[(3R)-3-hydroxy-3-phenyl-1-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene]amino]oxysulfonic acid

1 reference

based on heuristic

inferred from InChI

[(E)-[(3S)-3-hydroxy-3-phenyl-1-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene]amino]oxysulfonic acid

1 reference

based on heuristic

inferred from InChI

[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E,3S)-3-hydroxy-3-phenyl-N-sulfooxypropanimidothioate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₁NO₁₀S₂

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canonical SMILES

O=S(=O)(O)ON=C(CC(O)c1ccccc1)SC1OC(CO)C(O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1=CC=C(C=C1)[C@@H](C/C(=N\OS(=O)(=O)O)/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

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Identifiers

InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/b16-11+/t9-,10-,12-,13+,14-,15+/m1/s1

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GAPDDBFHNYHZIS-LXFDRBQGSA-N

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UniChem compound ID

1 reference

MassBank accession ID

MSBNK-RIKEN-PR100435

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