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CHEBI:994 - cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate
| Formula | C7H5NO5 |
| Net Charge | -2 |
| Average Mass | 183.119 |
| Monoisotopic Mass | 183.01787 |
| SMILES | N/C(C(=O)[O-])=C(/C=C\C=O)C(=O)[O-] |
| InChI | InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/p-2/b2-1-,5-4- |
| InChIKey | KACPVQQHDVBVFC-OIFXTYEKSA-L |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:994) has role human metabolite (CHEBI:77746) |
| cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:994) is a 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044) |
| cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:994) is conjugate base of cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:995) |
| cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:994) is conjugate base of cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−) (CHEBI:77612) |
| Incoming Relation(s) |
| cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:995) is conjugate acid of cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:994) |
| cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−) (CHEBI:77612) is conjugate acid of cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:994) |
| IUPAC Name |
|---|
| (2Z)-2-amino-3-[(1Z)-3-oxoprop-1-en-1-yl]but-2-enedioate |
| Registry Numbers | Sources |
|---|---|
| Reaxys:10167875 | Reaxys |