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CHEBI:29572 - demethyllactenocin
| Formula | C37H61NO14 |
| Net Charge | 0 |
| Average Mass | 743.888 |
| Monoisotopic Mass | 743.40921 |
| 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]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C37H61NO14/c1-9-27-24(17-48-36-34(47)33(46)31(44)22(6)49-36)14-18(2)10-11-25(40)19(3)15-23(12-13-39)35(20(4)26(41)16-28(42)51-27)52-37-32(45)29(38(7)8)30(43)21(5)50-37/h10-11,13-14,19-24,26-27,29-37,41,43-47H,9,12,15-17H2,1-8H3/b11-10+,18-14+/t19-,20+,21-,22-,23+,24-,26-,27-,29+,30-,31-,32-,33-,34-,35-,36-,37+/m1/s1 |
| InChIKey | QZCOVMJUGCBXHV-AVCFMDPFSA-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) |
| demethyllactenocin (CHEBI:29572) has functional parent tylactone (CHEBI:29700) |
| demethyllactenocin (CHEBI:29572) is a aldehyde (CHEBI:17478) |
| demethyllactenocin (CHEBI:29572) is a enone (CHEBI:51689) |
| demethyllactenocin (CHEBI:29572) is a macrolide antibiotic (CHEBI:25105) |
| demethyllactenocin (CHEBI:29572) is a monosaccharide derivative (CHEBI:63367) |
| demethyllactenocin (CHEBI:29572) is conjugate base of demethyllactenocin(1+) (CHEBI:76810) |
| Incoming Relation(s) |
| demethyllactenocin(1+) (CHEBI:76810) is conjugate acid of demethyllactenocin (CHEBI:29572) |
| IUPAC Name |
|---|
| [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-β-D-allopyranoside |
| Synonym | Source |
|---|---|
| Demethyllactenocin | KEGG COMPOUND |
| Citations |
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