EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:48913 - erythromycin A 2'-propanoate
| Formula | C40H71NO14 |
| Net Charge | 0 |
| Average Mass | 790.001 |
| Monoisotopic Mass | 789.48746 |
| SMILES | CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C |
| InChI | InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-/m1/s1 |
| InChIKey | TYQXKHPOXXXCTP-CSLYCKPJSA-N |
| Roles Classification |
|---|
| Biological Role: | antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| erythromycin A 2'-propanoate (CHEBI:48913) has functional parent erythromycin A (CHEBI:42355) |
| erythromycin A 2'-propanoate (CHEBI:48913) is a erythromycin derivative (CHEBI:48924) |
| Incoming Relation(s) |
| erythromycin estolate (CHEBI:4846) has part erythromycin A 2'-propanoate (CHEBI:48913) |
| IUPAC Name |
|---|
| (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-2-O-propanoyl-β-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione |
| Synonyms | Source |
|---|---|
| erythromycin propionate | ChemIDplus |
| erythromycin 2'-propanoate | ChemIDplus |
| erythromycin 2'-propionate | ChemIDplus |
| propionylerythromycin | ChemIDplus |