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CHEBI:4846 - erythromycin estolate

ChEBI IDCHEBI:4846
ChEBI Nameerythromycin estolate
Stars
Last Modified20 March 2008
DownloadsMolfile
FormulaC12H26O4S.C40H71NO14
Net Charge0
Average Mass1056.404
Monoisotopic Mass1055.64264
SMILESCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O
InChIInChI=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
InChIKeyAWMFUEJKWXESNL-JZBHMOKNSA-N
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
Erythromycin estolateKEGG COMPOUND
Erythromycin estorateKEGG COMPOUND
erythromycin 2'-propionate dodecyl sulfate (salt)ChemIDplus
propionic acid, 2'-ester with erythromycin, dodecyl sulfateChemIDplus
lauryl sulfate propionyl erythromycin esterChemIDplus
propionylerythromycin lauryl sulfateChemIDplus
Brand Names  Source
EritrogerChemIDplus
IlosoneKEGG DRUG
EromycinChemIDplus
LauromicinaChemIDplus
Neo-erycinumChemIDplus
RoxomicinaChemIDplus
Manual XrefsDatabases
C08031KEGG COMPOUND
D00851KEGG DRUG
US3000874Patent
LMPK04000015LIPID MAPS
Registry NumbersSources
Beilstein:3897327Beilstein
CAS:3521-62-8KEGG COMPOUND
CAS:3521-62-8ChemIDplus