EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:77009 - 5-O-β-D-mycaminosyl-20-oxotylonolide
| Formula | C31H51NO9 |
| Net Charge | 0 |
| Average Mass | 581.747 |
| Monoisotopic Mass | 581.35638 |
| SMILES | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C |
| InChI | InChI=1S/C31H51NO9/c1-9-25-19(4)14-17(2)10-11-23(34)18(3)15-22(12-13-33)30(20(5)24(35)16-26(36)40-25)41-31-29(38)27(32(7)8)28(37)21(6)39-31/h10-11,13-14,18-22,24-25,27-31,35,37-38H,9,12,15-16H2,1-8H3/b11-10+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1 |
| InChIKey | FERSDKADYZRIAA-CQGKBTLCSA-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) |
| 5-O-β-D-mycaminosyl-20-oxotylonolide (CHEBI:77009) has functional parent tylactone (CHEBI:29700) |
| 5-O-β-D-mycaminosyl-20-oxotylonolide (CHEBI:77009) is a aldehyde (CHEBI:17478) |
| 5-O-β-D-mycaminosyl-20-oxotylonolide (CHEBI:77009) is a enone (CHEBI:51689) |
| 5-O-β-D-mycaminosyl-20-oxotylonolide (CHEBI:77009) is a macrolide antibiotic (CHEBI:25105) |
| 5-O-β-D-mycaminosyl-20-oxotylonolide (CHEBI:77009) is a monosaccharide derivative (CHEBI:63367) |
| 5-O-β-D-mycaminosyl-20-oxotylonolide (CHEBI:77009) is conjugate base of 5-O-β-D-mycaminosyl-20-oxotylonolide(1+) (CHEBI:76803) |
| Incoming Relation(s) |
| 5-O-β-D-mycaminosyl-20-oxotylonolide(1+) (CHEBI:76803) is conjugate acid of 5-O-β-D-mycaminosyl-20-oxotylonolide (CHEBI:77009) |
| IUPAC Name |
|---|
| (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| 20-oxo-5-O-β-D-mycaminosyltylonolide | ChEBI |
| Deepoxycirramycin A1 | ChemIDplus |
| 23-Deoxy-5-O-mycaminosyltylonolide | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| CPD-15945 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| CAS:50507-46-5 | ChemIDplus |