erythromycin estolate (CHEBI:4846)

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CHEBI:4846 - erythromycin estolate

ChEBI ID	CHEBI:4846
ChEBI Name	erythromycin estolate
Stars
Last Modified	20 March 2008
Downloads	Molfile

Formula	C12H26O4S.C40H71NO14
Net Charge	0
Average Mass	1056.404
Monoisotopic Mass	1055.64264
SMILES	CCC(=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
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

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 2'-propionate dodecyl sulfate (salt)	ChemIDplus
Erythromycin (as estolate)	ChEMBL
Erythromycin estolate	KEGG COMPOUND
Erythromycin estorate	KEGG COMPOUND
Erythromycin lauryl sulfate, propionyl	ChEMBL
erythromycin propionate, compound with dodecyl sulfate	ChemIDplus

Brand Names	Source
Eriscel	ChemIDplus
Eritroger	ChemIDplus
Eromycin	ChemIDplus
Erythromycin estolate component of ilosone sulfa	ChEMBL
Estomicina	ChemIDplus
Ilosone	KEGG DRUG

Manual Xrefs	Databases
C08031	KEGG COMPOUND
D00851	KEGG DRUG
LMPK04000015	LIPID MAPS
US3000874	Patent

Registry Numbers	Sources
Beilstein:3897327	Beilstein
CAS:3521-62-8	ChemIDplus
CAS:3521-62-8	KEGG COMPOUND

Citations