2-methyl-2-butenedioic acid (Q105030822)

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chemical compound

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Language	Label	Description	Also known as
English	2-methyl-2-butenedioic acid	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

fatty acid

0 references

mass

130.026608672 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅H₆O₄

0 references

canonical SMILES

O=C(O)C=C(C(=O)O)C

0 references

found in taxon

Fragaria

1 reference

stated in

Organic acids from fresh California strawberries

Phaseolus vulgaris

1 reference

stated in

Metabolite Profiling of Root Exudates of Common Bean under Phosphorus Deficiency

Identifiers

InChI

InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)

0 references

InChIKey

HNEGQIOMVPPMNR-UHFFFAOYSA-N

0 references

CAS Registry Number

7407-59-2

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

874

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

HNEGQIOMVPPMNR-UHFFFAOYSA-N

UniChem compound ID

1061283

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-RIKEN_ReSpect-PS009301

1 reference

InChIKey

HNEGQIOMVPPMNR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN_ReSpect-PS009302

1 reference

InChIKey

HNEGQIOMVPPMNR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN_ReSpect-PS009303

1 reference

InChIKey

HNEGQIOMVPPMNR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN_ReSpect-PS009307

1 reference

InChIKey

HNEGQIOMVPPMNR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN_ReSpect-PS075401

1 reference

InChIKey

HNEGQIOMVPPMNR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN_ReSpect-PS075402

1 reference

InChIKey

HNEGQIOMVPPMNR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN_ReSpect-PS075403

1 reference

InChIKey

HNEGQIOMVPPMNR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN_ReSpect-PS075407

1 reference

InChIKey

HNEGQIOMVPPMNR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN_ReSpect-PS075408

1 reference

InChIKey

HNEGQIOMVPPMNR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN_ReSpect-PT200930

1 reference

InChIKey

HNEGQIOMVPPMNR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN_ReSpect-PT207540

1 reference

InChIKey

HNEGQIOMVPPMNR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

DSSTox substance ID

DTXSID20862046

1 reference

matched by identifier from

InChIKey

InChIKey

HNEGQIOMVPPMNR-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0245226

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

HNEGQIOMVPPMNR-UHFFFAOYSA-N

Probes And Drugs ID

PD040094

0 references

 

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Wikisource(0 entries)

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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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Multilingual sites(0 entries)

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