4-Carboxymethyl-2,3-dimethylbut-2-en-1,4 (CHEBI:201975)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	4-Carboxymethyl-2,3-dimethylbut-2-en-1,4

ChEBI ID	CHEBI:201975

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

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Formula

C8H10O4

Net Charge

Average Mass

170.164

Monoisotopic Mass

170.05791

InChI

InChI=1S/C8H10O4/c1-4-5(2)8(11)12-6(4)3-7(9)10/h6H,3H2,1-2H3,(H,9,10)/t6-/m0/s1

InChIKey

ZACUJTPWYBMFGR-LURJTMIESA-N

SMILES

O=C1O[C@@H](CC(=O)O)C(=C1C)C

Metabolite of Species	Details
Rhodococcus rhodochrous (NCBI:txid1829)	See: DOI

ChEBI Ontology
Outgoing	4-Carboxymethyl-2,3-dimethylbut-2-en-1,4 (CHEBI:201975) is a butenolide (CHEBI:50523)

IUPAC Name

2-(3,4-dimethyl-5-oxo-2H-uran-2-yl)acetic acid