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CHEBI:28196 - erythromycin B

ChEBI IDCHEBI:28196
ChEBI Nameerythromycin B
Stars
DefinitionAn erythromycin that consists of erythronolide B having 2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively.
Secondary ChEBI IDsCHEBI:4842, CHEBI:23949
Last Modified28 July 2014
DownloadsMolfile
FormulaC37H67NO12
Net Charge0
Average Mass717.938
Monoisotopic Mass717.46633
SMILESCC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C
InChIInChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1
InChIKeyIDRYSCOQVVUBIJ-PPGFLMPOSA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
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.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
erythromycin B (CHEBI:28196) has functional parent erythronolide B (CHEBI:27977)
erythromycin B (CHEBI:28196) is a erythromycin (CHEBI:48923)
IUPAC Name 
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-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
INNs  Source
berythromycinChemIDplus
beritromicinaChemIDplus
berythromycinumChemIDplus
bérythromycineChemIDplus
Synonyms  Source
Erythromycin BKEGG COMPOUND
12-deoxyerythromycinChemIDplus
BerythromycinKEGG COMPOUND
Manual XrefsDatabases
C06653KEGG COMPOUND
D03098KEGG DRUG
LMPK04000012LIPID MAPS
CN101104631Patent
CPD-13805MetaCyc
Registry NumbersSources
Beilstein:5206722Beilstein
Reaxys:74652Reaxys
CAS:527-75-3ChemIDplus
Citations