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CHEBI:171793 - Na-Hexanoyl-Nb-inosityltryptophan
| Formula | C23H32N2O8 |
| Net Charge | 0 |
| Average Mass | 464.515 |
| Monoisotopic Mass | 464.21587 |
| SMILES | CCCCCC(=O)NC(Cc1cn(C2C(O)C(O)C(O)C(O)C2O)c2ccccc12)C(=O)O |
| InChI | InChI=1S/C23H32N2O8/c1-2-3-4-9-16(26)24-14(23(32)33)10-12-11-25(15-8-6-5-7-13(12)15)17-18(27)20(29)22(31)21(30)19(17)28/h5-8,11,14,17-22,27-31H,2-4,9-10H2,1H3,(H,24,26)(H,32,33) |
| InChIKey | ZUUILEUIJMVLIM-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| Pooled sample (NCIT:C45910) | MetaboLights (MTBLS2128) | ||
| blood plasma (BTO:0000131) | MetaboLights (MTBLS2128) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Na-Hexanoyl-Nb-inosityltryptophan (CHEBI:171793) is a N-acyl-amino acid (CHEBI:51569) |
| IUPAC Name |
|---|
| 2-(hexanoylamino)-3-[1-(2,3,4,5,6-pentahydroxycyclohexyl)indol-3-yl]propanoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0039501 | HMDB |
| 35014812 | ChemSpider |