2-methylhippuric acid (Q22132784)

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chemical compound

• 2-[(2-methylbenzoyl)amino]acetic acid
• o-methylhippuric acid
• ortho-methylhippuric acid
• 2-methyl hippuric acid
• 2-[(2-methylphenyl)formamido]acetic acid
• 2-(2-methylbenzamido)acetic acid
• 2-[(2-methylphenyl)carbonylamino]acetic acid
• o-Toluric acid
• N-(2-methylbenzoyl)glycine
• N-(o-toluoyl)glycine
• N-(o-Toluoyl)-glycine
• N-(methylbenzoyl)glycine
• N-(methylbenzoyl)-glycine
• N-(2-methylbenzoyl)-glycine

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Language	Label	Description	Also known as
English	2-methylhippuric acid	chemical compound	2-[(2-methylbenzoyl)amino]acetic acid o-methylhippuric acid ortho-methylhippuric acid 2-methyl hippuric acid 2-[(2-methylphenyl)formamido]acetic acid 2-(2-methylbenzamido)acetic acid 2-[(2-methylphenyl)carbonylamino]acetic acid o-Toluric acid N-(2-methylbenzoyl)glycine N-(o-toluoyl)glycine N-(o-Toluoyl)-glycine N-(methylbenzoyl)glycine N-(methylbenzoyl)-glycine N-(2-methylbenzoyl)-glycine

Statements

instance of

type of chemical entity

0 references

subclass of

methylhippuric acid

0 references

chemical structure

2-Methylhippuric acid.svg
300 × 470; 11 KB

0 references

mass

193.073893±0 dalton

1 reference

stated in

PubChem

PubChem CID

91637

language of work or name

English

title

2-Methylhippuric acid (English)

retrieved

7 October 2016

chemical formula

C₁₀H₁₁NO₃

1 reference

stated in

PubChem

PubChem CID

91637

language of work or name

English

title

2-Methylhippuric acid (English)

retrieved

20 November 2016

canonical SMILES

CC1=CC=CC=C1C(=O)NCC(=O)O

1 reference

stated in

PubChem

PubChem CID

91637

language of work or name

English

title

2-Methylhippuric acid (English)

retrieved

20 November 2016

isomeric SMILES

CC1=CC=CC=C1/C(=N/CC(=O)O)/O

1 reference

stated in

ChemSpider

ChemSpider ID

82742

language of work or name

English

title

2-Methylhippuric Acid (English)

retrieved

20 November 2016

found in taxon

Homo sapiens

1 reference

stated in

Recon 2.2: from reconstruction to model of human metabolism

Identifiers

InChI

InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)

1 reference

stated in

PubChem

PubChem CID

91637

language of work or name

English

title

2-Methylhippuric acid (English)

retrieved

20 November 2016

InChIKey

YOEBAVRJHRCKRE-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

91637

language of work or name

English

title

2-Methylhippuric acid (English)

retrieved

20 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

42013-20-7

2 references

stated in

Global Substance Registration System

UNII

J043BCI40Z

language of work or name

English

title

O-toluric acid (English)

retrieved

20 November 2016

InChIKey

YOEBAVRJHRCKRE-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=42013-20-7

ChemSpider ID

82742

1 reference

stated in

ChemSpider

ChemSpider ID

82742

language of work or name

English

title

2-Methylhippuric Acid (English)

retrieved

20 November 2016

PubChem CID

91637

1 reference

stated in

PubChem

PubChem CID

91637

language of work or name

English

title

2-Methylhippuric acid (English)

retrieved

20 November 2016

Reaxys registry number

2103944

1 reference

stated in

ChEBI

ChEBI ID

68455

language of work or name

English

title

o-methylhippuric acid (English)

retrieved

7 October 2016

ChEBI ID

68455

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL457228

language of work or name

English

title

CHEMBL457228 (English)

retrieved

20 November 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)

ChEMBL ID

CHEMBL457228

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL457228

language of work or name

English

title

CHEMBL457228 (English)

retrieved

20 November 2016

SureChEMBL ID

SCHEMBL1285567

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

YOEBAVRJHRCKRE-UHFFFAOYSA-N

UniChem compound ID

540883

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP002236

0 references

MSBNK-Osaka_Univ-OUF00037

0 references

MSBNK-Osaka_Univ-OUF00038

0 references

MSBNK-GL_Sciences_Inc-GLS00079

0 references

MSBNK-GL_Sciences_Inc-GLS00080

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SPLASH

splash10-014i-1921000000-99d8518c7ed8a7303750

0 references

splash10-014i-2930000000-17087fd513ab1a3e48c8

0 references

splash10-014i-1911000000-d30157f1d23d841dd7fa

0 references

splash10-014i-3920000000-ffcf68f9d13b6ffa54c5

0 references

DSSTox substance ID

DTXSID60194818

1 reference

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID00117309

0 references

NSC number

163983

0 references

EC number

255-622-7

1 reference

stated in

Global Substance Registration System

UNII

J043BCI40Z

language of work or name

English

title

O-toluric acid (English)

retrieved

20 November 2016

ECHA Substance Infocard ID

100.050.548

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.050.548

retrieved

27 December 2018

title

N-(o-toluoyl)glycine (English)

quotation

CAS no.: 42013-20-7 (English)

Human Metabolome Database ID

HMDB0011723

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

YOEBAVRJHRCKRE-UHFFFAOYSA-N

UNII

J043BCI40Z

2 references

stated in

Global Substance Registration System

UNII

J043BCI40Z

language of work or name

English

title

O-toluric acid (English)

retrieved

20 November 2016

matched by identifier from

InChIKey

InChIKey

YOEBAVRJHRCKRE-UHFFFAOYSA-N

Probes And Drugs ID

PD099471

0 references

 

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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