CHEBI:42355 - erythromycin A

ChEBI IDCHEBI:42355
ChEBI Nameerythromycin A
Stars
DefinitionAn erythromycin that consists of erythronolide A 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:4841, CHEBI:4843, CHEBI:23950, CHEBI:28672, CHEBI:42352, CHEBI:112506
Last Modified12 October 2021
DownloadsMolfile

FormulaC37H67NO13
Net Charge0
Average Mass733.937
Monoisotopic Mass733.46124
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@]1(C)O
InChIInChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
InChIKeyULGZDMOVFRHVEP-RWJQBGPGSA-N

Roles Classification

ChEBI Ontology
IUPAC Names 
(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)-β-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
erythromycin
INNs  Source
érythromycine  frChemIDplus
erythromycinum  laChemIDplus
eritromicina  esChemIDplus
erythromycinChemIDplus
Synonyms  Source
ErythromycinKEGG COMPOUND
Erythromycin AKEGG COMPOUND
AbomacetinKEGG COMPOUND
Erythromycin CKEGG COMPOUND
ERYTHROMYCIN APDBeChem
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dioneIUPAC
Manual XrefsDatabases
C01912KEGG COMPOUND
ERYPDBeChem
D00140KEGG DRUG
US2823203Patent
DB00199DrugBank
LMPK04000006LIPID MAPS
CPD-13804MetaCyc
LSM-3416LINCS
1048DrugCentral
Registry NumbersSources
Beilstein:75000Beilstein
Reaxys:75279Reaxys
CAS:114-07-8KEGG COMPOUND
CAS:1675-02-1ChemIDplus
CAS:114-07-8ChemIDplus