(Q72507877)

English

Sodium glucoheptonate

group of stereoisomers with the chemical formula C₇H₁₃O₈·Na

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

248.05081165599998 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₇H₁₃O₈·Na

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canonical SMILES

O=C([O-])C(O)C(O)C(O)C(O)C(O)CO.[Na+]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1/t2-,3-,4+,5-,6?;/m1./s1

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InChIKey

FMYOMWCQJXWGEN-BMZZJELJSA-M

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2 references

26 December 2021

matched by identifier from

InChIKey

FMYOMWCQJXWGEN-BMZZJELJSA-M

1 reference

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1 reference

matched by identifier from

InChIKey

FMYOMWCQJXWGEN-BMZZJELJSA-M

DSSTOX compound identifier

DTXCID001044572

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EC number

250-480-2

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ECHA Substance Infocard ID

100.045.877

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stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.045.877

retrieved

29 December 2019

title

Sodium glucoheptonate (English)

quotation

CAS no.: 31138-65-5 (English)

PesticideInfo chemical ID

PRI1134

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AICS Chemical ID (BEING DELETED)

17751

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Human Metabolome Database ID

HMDB0303297

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FMYOMWCQJXWGEN-BMZZJELJSA-M

(Q72507877)

Sodium glucoheptonate

Statements

Identifiers

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