CHEBI:28331 - erythromycin D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name erythromycin D
ChEBI ID CHEBI:28331
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4844, CHEBI:23951
Supplier Information
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Formula C36H65NO12
Net Charge 0
Average Mass 703.90084
Monoisotopic Mass 703.451
InChI InChI=1S/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21+,22-,23+,24+,25-,26+,28+,29-,30+,31+,32-,34+,35-,36-/m1/s1
InChIKey CLQUUOKNEOQBSW-KEGKUKQHSA-N
SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
(via erythromycin )
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via erythromycin )
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
(via erythromycin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via macrolide antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing erythromycin D (CHEBI:28331) has functional parent erythronolide B (CHEBI:27977)
erythromycin D (CHEBI:28331) is a erythromycin (CHEBI:48923)
erythromycin D (CHEBI:28331) is conjugate base of erythromycin D(1+) (CHEBI:63677)
Incoming erythromycin D(1+) (CHEBI:63677) is conjugate acid of erythromycin D (CHEBI:28331)
IUPAC Name
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyloxy)-14-ethyl-7,12-dihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
Synonym Source
Erythromycin D KEGG COMPOUND
Database Links Databases
C06633 KEGG COMPOUND
EY5 PDBeChem
View more database links
Registry Number Type Source
8466359 Beilstein Registry Number Beilstein
Last Modified
28 July 2014