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CHEBI:189750 - Ophthalmate
| Formula | C11H18N3O6 |
| Net Charge | -1 |
| Average Mass | 288.280 |
| Monoisotopic Mass | 288.12011 |
| SMILES | CC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-] |
| InChI | InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/p-1/t6-,7-/m0/s1 |
| InChIKey | JCMUOFQHZLPHQP-BQBZGAKWSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| Endometrium (NCIT:C12313) | MetaboLights (MTBLS3935) | ||
| Brush Cell (NCIT:C32236) | MetaboLights (MTBLS3935) | ||
| Urine (NCIT:C13283) | MetaboLights (MTBLS3935) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ophthalmate (CHEBI:189750) has role human metabolite (CHEBI:77746) |
| Ophthalmate (CHEBI:189750) is a oligopeptide (CHEBI:25676) |
| Ophthalmate (CHEBI:189750) is conjugate base of ophthalmic acid (CHEBI:84058) |
| Incoming Relation(s) |
| ophthalmic acid (CHEBI:84058) is conjugate acid of Ophthalmate (CHEBI:189750) |
| IUPAC Name |
|---|
| (2S)-2-azaniumyl-5-[[(2S)-1-(carboxylatomethylamino)-1-oxobutan-2-yl]amino]-5-oxopentanoate |
| UniProt Name | Source |
|---|---|
| ophthalmate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| 5381694 | ChemSpider |