CHEBI:4846 - erythromycin estolate

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ChEBI Name erythromycin estolate
ChEBI ID CHEBI:4846
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H71NO14.C12H26O4S
Net Charge 0
Average Mass 1056.38852
Monoisotopic Mass 1055.64264
InChI InChI=1S/C40H71NO14.C12H26O4S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;2-12H2,1H3,(H,13,14,15)/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-;/m1./s1
InChIKey AWMFUEJKWXESNL-JZBHMOKNSA-N
SMILES CCCCCCCCCCCCOS(O)(=O)=O.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]2OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
Roles Classification
Biological Role(s): enzyme inhibitor
A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
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 estolate (CHEBI:4846) has part erythromycin A 2'-propanoate (CHEBI:48913)
erythromycin estolate (CHEBI:4846) has role enzyme inhibitor (CHEBI:23924)
erythromycin estolate (CHEBI:4846) is a aminoglycoside sulfate salt (CHEBI:38012)
erythromycin estolate (CHEBI:4846) is a erythromycin derivative (CHEBI:48924)
IUPAC Name
(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)-2-O-propanoyl-β-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione dodecyl hydrogen sulfate
Synonyms Sources
erythromycin 2'-propionate dodecyl sulfate (salt) ChemIDplus
Erythromycin estolate KEGG COMPOUND
Erythromycin estorate KEGG COMPOUND
erythromycin propionate, compound with dodecyl sulfate ChemIDplus
lauryl sulfate propionyl erythromycin ester ChemIDplus
monopropionylerythromycin laurylsulfate Patent
PELS ChemIDplus
propionic acid, 2'-ester with erythromycin, dodecyl sulfate ChemIDplus
propionylerythromycin lauryl sulfate ChemIDplus
Brand Names Sources
Eriscel ChemIDplus
Eritroger ChemIDplus
Eromycin ChemIDplus
Estomicina ChemIDplus
Ilosone KEGG DRUG
Lauromicina ChemIDplus
Marcoeritrex ChemIDplus
Neo-erycinum ChemIDplus
Roxomicina ChemIDplus
Stellamicina ChemIDplus
Manual Xrefs Databases
C08031 KEGG COMPOUND
D00851 KEGG DRUG
LMPK04000015 LIPID MAPS
US3000874 Patent
View more database links
Registry Numbers Types Sources
3521-62-8 CAS Registry Number KEGG COMPOUND
3521-62-8 CAS Registry Number ChemIDplus
3897327 Beilstein Registry Number Beilstein
Last Modified
20 March 2008