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CHEBI:168645 - Gluten exorphin B5
| Formula | C30H38N6O7 |
| Net Charge | 0 |
| Average Mass | 594.669 |
| Monoisotopic Mass | 594.28020 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C30H38N6O7/c1-17(2)11-25(30(42)43)36-29(41)24(13-19-14-32-23-6-4-3-5-21(19)23)35-27(39)16-33-26(38)15-34-28(40)22(31)12-18-7-9-20(37)10-8-18/h3-10,14,17,22,24-25,32,37H,11-13,15-16,31H2,1-2H3,(H,33,38)(H,34,40)(H,35,39)(H,36,41)(H,42,43)/t22-,24-,25-/m0/s1 |
| InChIKey | RLDBWDFQAZNDLP-HVCNVCAESA-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 base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Gluten exorphin B5 (CHEBI:168645) is a oligopeptide (CHEBI:25676) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 8114126 | ChemSpider |