EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:89556 - Vanilloylglycine
| Formula | C10H11NO5 |
| Net Charge | 0 |
| Average Mass | 225.200 |
| Monoisotopic Mass | 225.06372 |
| SMILES | COc1cc(C(=O)NCC(=O)O)ccc1O |
| InChI | InChI=1S/C10H11NO5/c1-16-8-4-6(2-3-7(8)12)10(15)11-5-9(13)14/h2-4,12H,5H2,1H3,(H,11,15)(H,13,14) |
| InChIKey | LOODYTDRRBLQNH-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (22827565) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Vanilloylglycine (CHEBI:89556) is a N-acylglycine (CHEBI:16180) |
| Synonyms | Source |
|---|---|
| 2-[(4-hydroxy-3-methoxybenzoyl)amino]acetic acid | HMDB |
| 3-Methoxy-4-hydroxyhippuric acid | HMDB |
| 2-[(4-hydroxy-3-methoxyphenyl)formamido]acetic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0060026 | HMDB |
| Citations |
|---|