CHEBI:28239 - erythromycin E

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name erythromycin E
ChEBI ID CHEBI:28239
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:23952, CHEBI:4845
Supplier Information
Download Molfile XML SDF
Formula C37H65NO14
Net Charge 0
Average Mass 747.91034
Monoisotopic Mass 747.441
InChI InChI=1S/C37H65NO14/c1-13-25-36(9,45)29(41)20(4)26(39)18(2)15-34(7,44)31(50-33-27(40)24(38(10)11)14-19(3)48-33)21(5)28-23(32(43)49-25)16-47-37(52-28)17-35(8,46-12)30(42)22(6)51-37/h18-25,27-31,33,40-42,44-45H,13-17H2,1-12H3/t18-,19-,20+,21+,22+,23-,24+,25-,27-,28+,29-,30+,31-,33+,34-,35-,36-,37-/m1/s1
InChIKey PRUSTPADOGZAML-LMXGZOGMSA-N
SMILES CC[C@H]1OC(=O)[C@@H]2CO[C@@]3(C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)O[C@H]2[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@]1(C)O
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 E (CHEBI:28239) has functional parent erythromycin A (CHEBI:42355)
erythromycin E (CHEBI:28239) is a erythromycin (CHEBI:48923)
erythromycin E (CHEBI:28239) is a ortho ester (CHEBI:71989)
IUPAC Name
(2S,4'R,4aR,5'S,6'S,7R,8S,9R,10R,12R,14R,15R,16S,16aS)-7-ethyl-5',8,9,14-tetrahydroxy-4'-methoxy-4',6',8,10,12,14,16-heptamethyl-15-[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyloxy]hexadecahydro-5H,11H-spiro[1,3-dioxino[5,4-c]oxacyclotetradecine-2,2'-pyran]-5,11-dione
Synonyms Sources
1'',16-epoxyerythromycin ChemIDplus
Erythromycin E KEGG COMPOUND
Database Link Database
C06634 KEGG COMPOUND
View more database links
Registry Number Type Source
41451-91-6 CAS Registry Number ChemIDplus
Last Modified
04 August 2014