EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C20H30N4O12 |
| Net Charge | 0 |
| Average Mass | 518.476 |
| Monoisotopic Mass | 518.18602 |
| SMILES | N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC=O)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| InChI | InChI=1S/C20H30N4O12/c21-10(17(29)30)3-6-14(26)23-12(19(33)34)5-8-16(28)24-13(20(35)36)4-7-15(27)22-11(18(31)32)2-1-9-25/h9-13H,1-8,21H2,(H,22,27)(H,23,26)(H,24,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t10-,11-,12-,13-/m1/s1 |
| InChIKey | LJVWRHJDEMCHNS-FDYHWXHSSA-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) |
| Poly-g-D-glutamate (CHEBI:169453) is a oligopeptide (CHEBI:25676) |
| IUPAC Name |
|---|
| (2R)-2-amino-5-[[(1R)-1-carboxy-4-[[(1R)-1-carboxy-4-[[(1R)-1-carboxy-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0004135 | HMDB |
| C05723 | KEGG COMPOUND |
| 30776562 | ChemSpider |