EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H37NO3 |
| Net Charge | 0 |
| Average Mass | 423.597 |
| Monoisotopic Mass | 423.27734 |
| SMILES | CCC/C=C/CC1C/C=C/C=C(C)/C=C/C=C\C(O)C(O)/C=C(C)/C=C/C=C/C(=O)N1 |
| InChI | InChI=1S/C27H37NO3/c1-4-5-6-7-17-24-18-11-8-14-22(2)15-9-12-19-25(29)26(30)21-23(3)16-10-13-20-27(31)28-24/h6-16,19-21,24-26,29-30H,4-5,17-18H2,1-3H3,(H,28,31)/b7-6+,11-8+,15-9+,16-10+,19-12-,20-13+,22-14+,23-21+ |
| InChIKey | ALYLZDHKQZUVDF-GWNVROLUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (1500352) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| BE-14106 (CHEBI:206462) is a azamacrocycle (CHEBI:52898) |
| BE-14106 (CHEBI:206462) is a keratan 6'-sulfate (CHEBI:18331) |
| IUPAC Name |
|---|
| (3E,5E,7E,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one |
| Manual Xrefs | Databases |
|---|---|
| 8563050 | ChemSpider |