1-(Malonylamino)cyclopropanecarboxylic acid (CHEBI:168168)

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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	1-(Malonylamino)cyclopropanecarboxylic acid

ChEBI ID	CHEBI:168168

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

Submitter	MetaboLights

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Formula

C7H9NO5

Net Charge

Average Mass

187.151

Monoisotopic Mass

187.04807

InChI

InChI=1S/C7H9NO5/c9-4(3-5(10)11)8-7(1-2-7)6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)

InChIKey

QXOQNNAWFUXKMH-UHFFFAOYSA-N

SMILES

OC(=O)C1(NC(=O)CC(O)=O)CC1

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	1-(Malonylamino)cyclopropanecarboxylic acid (CHEBI:168168) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name

1-[(2-carboxyacetyl)amino]cyclopropane-1-carboxylic acid

Registry Number	Type	Source
80550-27-2	CAS Registry Number	ChemIDplus