(Q76304007)

English

(1R,4R,5R,6R,7S,8R)-6-acetyloxy-7-amino-4-carbamoyl-4-hydroxy-8-phosphonooxy-9-oxa-3-thiabicyclo[3.3.1]nonane-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-(acetyloxy)-7-amino-4-hydroxy-4-(C-hydroxycarbonimidoyl)-8-(phosphonooxy)-9-oxa-3-thiabicyclo[3.3.1]nonane-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

416.02906699399995 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

1 reference

C₁₁H₁₇N₂O₁₁PS

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canonical SMILES

CC(=O)OC1C(N)C(OP(=O)(O)O)C2(C(=O)O)CSC(O)(C(N)=O)C1O2

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isomeric SMILES

CC(=O)O[C@@H]1[C@@H]([C@H]([C@]2(CS[C@]([C@@H]1O2)(C(=O)N)O)C(=O)O)OP(=O)(O)O)N

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found in taxon

Pseudomonas syringae

2 references

stated in

The structure of tagetitoxin

stated in

The structure of tagetitoxin, a phytotoxin of Pseudomonas syringae pv. tagetis

Identifiers

InChI

InChI=1S/C11H17N2O11PS/c1-3(14)22-5-4(12)6(24-25(19,20)21)10(9(16)17)2-26-11(18,8(13)15)7(5)23-10/h4-7,18H,2,12H2,1H3,(H2,13,15)(H,16,17)(H2,19,20,21)/t4-,5+,6+,7+,10+,11+/m0/s1

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InChIKey

UVAAUIDYGIWLMB-HGNFPZBQSA-N

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PubChem CID

5327077

1 reference

matched by identifier from

InChIKey

UVAAUIDYGIWLMB-HGNFPZBQSA-N

1 reference

1 reference

matched by identifier from

InChIKey

UVAAUIDYGIWLMB-HGNFPZBQSA-N

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(Q76304007)

(1R,4R,5R,6R,7S,8R)-6-acetyloxy-7-amino-4-carbamoyl-4-hydroxy-8-phosphonooxy-9-oxa-3-thiabicyclo[3.3.1]nonane-1-carboxylic acid

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Identifiers

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