EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C37H67NO13 |
| Net Charge | 0 |
| Average Mass | 733.937 |
| Monoisotopic Mass | 733.46124 |
| SMILES | CC[C@H]1OC(=O)[C@H](CO)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C |
| InChI | InChI=1S/C37H67NO13/c1-13-26-20(4)29(41)21(5)28(40)18(2)15-36(8,45)33(51-35-30(42)25(38(10)11)14-19(3)47-35)22(6)31(24(17-39)34(44)49-26)50-27-16-37(9,46-12)32(43)23(7)48-27/h18-27,29-33,35,39,41-43,45H,13-17H2,1-12H3/t18-,19?,20+,21+,22+,23?,24-,25?,26-,27?,29+,30?,31+,32?,33-,35?,36-,37?/m1/s1 |
| InChIKey | ZQLOQWOXRVAVOI-UOLRGNITSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Saccharopolyspora erythraea (ncbitaxon:1836) | - | PubMed (12760684) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Erythromycin G (CHEBI:201979) is a aminoglycoside (CHEBI:47779) |
| IUPAC Name |
|---|
| (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3-(hydroxymethyl)-5,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione |
| Manual Xrefs | Databases |
|---|---|
| 78445088 | ChemSpider |