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CHEBI:168168 - 1-(Malonylamino)cyclopropanecarboxylic acid
| Formula | C7H9NO5 |
| Net Charge | 0 |
| Average Mass | 187.151 |
| Monoisotopic Mass | 187.04807 |
| SMILES | O=C(O)CC(=O)NC1(C(=O)O)CC1 |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 |
| Manual Xrefs | Databases |
|---|---|
| HMDB0031700 | HMDB |
| 117767 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:80550-27-2 | ChemIDplus |