CHEBI:48935 - (E)-roxithromycin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (E)-roxithromycin
ChEBI ID CHEBI:48935
ChEBI ASCII Name (E)-roxithromycin
Definition A major geometrical isomer of roxithromycin.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:45437, CHEBI:48846
Supplier Information
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Formula C41H76N2O15
Net Charge 0
Average Mass 837.04662
Monoisotopic Mass 836.525
InChI InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1
InChIKey RXZBMPWDPOLZGW-XMRMVWPWSA-N
SMILES CC[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]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)[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.
Biological Role(s): 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.
antibacterial drug
A drug used to treat or prevent bacterial infections.
(via roxithromycin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via macrolide antibiotic )
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
(via roxithromycin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (E)-roxithromycin (CHEBI:48935) has role environmental contaminant (CHEBI:78298)
(E)-roxithromycin (CHEBI:48935) has role xenobiotic (CHEBI:35703)
(E)-roxithromycin (CHEBI:48935) is a roxithromycin (CHEBI:48844)
IUPAC Name
(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-10-{[(2-methoxyethoxy)methoxy]imino}-6-[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one
INNs Sources
roxithromycin ChemIDplus
roxithromycine ChemIDplus
roxithromycinum ChemIDplus
roxitromicina ChemIDplus
Synonyms Sources
(9E)-erythromycin 9-(O-((2-methoxyethoxy)methyl)oxime) ChemIDplus
ROXITHROMYCIN PDBeChem
Manual Xrefs Databases
2410 DrugCentral
HMDB0014916 HMDB
ROX PDBeChem
View more database links
Registry Numbers Types Sources
5900029 Beilstein Registry Number Beilstein
5900029 Reaxys Registry Number Reaxys
80214-83-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12575424 PubMed citation Europe PMC
24462419 PubMed citation Europe PMC
Last Modified
22 February 2017