EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:201160 - 6-hydroxymetatacarboline G
| Formula | C26H30N4O7 |
| Net Charge | 0 |
| Average Mass | 510.547 |
| Monoisotopic Mass | 510.21145 |
| SMILES | CC[C@H](C)[C@H](NC(=O)c1cc2c(nc3ccc(O)cc32)c(CCC(=O)N2CCC[C@H]2C(=O)O)n1)C(=O)O |
| InChI | InChI=1S/C26H30N4O7/c1-3-13(2)22(26(36)37)29-24(33)19-12-16-15-11-14(31)6-7-17(15)28-23(16)18(27-19)8-9-21(32)30-10-4-5-20(30)25(34)35/h6-7,11-13,20,22,28,31H,3-5,8-10H2,1-2H3,(H,29,33)(H,34,35)(H,36,37)/t13-,20-,22-/m0/s1 |
| InChIKey | PWJGZHKIRKGMNL-JYYJXNPCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mycena metata (ncbitaxon:1033252) | - | PubMed (23330951) |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-hydroxymetatacarboline G (CHEBI:201160) is a harmala alkaloid (CHEBI:61379) |
| IUPAC Name |
|---|
| (2S)-1-[3-[3-[[(1S,2S)-1-carboxy-2-methylbutyl]carbamoyl]-6-hydroxy-9H-pyrido[3,4-b]indol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78436730 | ChemSpider |