3-carboxy-4-methyl-5-(1-hydroxypropyl)-2-furanpropionic acid (CHEBI:169118)

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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	3-carboxy-4-methyl-5-(1-hydroxypropyl)-2-furanpropionic acid

ChEBI ID	CHEBI:169118

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O6

Net Charge

Average Mass

256.254

Monoisotopic Mass

256.09469

InChI

InChI=1S/C12H16O6/c1-3-7(13)11-6(2)10(12(16)17)8(18-11)4-5-9(14)15/h7,13H,3-5H2,1-2H3,(H,14,15)(H,16,17)

InChIKey

OZOJARPUDFLESM-UHFFFAOYSA-N

SMILES

O1C(C(O)CC)=C(C(=C1CCC(O)=O)C(O)=O)C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	3-carboxy-4-methyl-5-(1-hydroxypropyl)-2-furanpropionic acid (CHEBI:169118) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

2-(2-carboxyethyl)-5-(1-hydroxypropyl)-4-methyluran-3-carboxylic acid