CHEBI:277842 - amphotericin B methyl ester

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ChEBI Name amphotericin B methyl ester
ChEBI ID CHEBI:277842
Definition The methyl ester of amphotericin B.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C48H75NO17
Net Charge 0
Average Mass 938.10560
Monoisotopic Mass 937.50350
InChI InChI=1S/C48H75NO17/c1-28-18-16-14-12-10-8-6-7-9-11-13-15-17-19-35(65-47-45(59)42(49)44(58)31(4)64-47)25-39-41(46(60)62-5)38(55)27-48(61,66-39)26-34(52)23-37(54)36(53)21-20-32(50)22-33(51)24-40(56)63-30(3)29(2)43(28)57/h6-19,28-39,41-45,47,50-55,57-59,61H,20-27,49H2,1-5H3/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38-,39-,41+,42-,43+,44+,45-,47-,48+/m0/s1
InChIKey UAZIZEMIKKIBCA-TYVGYKFWSA-N
SMILES [H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(=O)OC)O2
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Application(s): antiinfective agent
A substance used in the prophylaxis or therapy of infectious diseases.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing amphotericin B methyl ester (CHEBI:277842) has functional parent amphotericin B (CHEBI:2682)
amphotericin B methyl ester (CHEBI:277842) has role antifungal agent (CHEBI:35718)
amphotericin B methyl ester (CHEBI:277842) has role antiinfective agent (CHEBI:35441)
amphotericin B methyl ester (CHEBI:277842) has role metabolite (CHEBI:25212)
amphotericin B methyl ester (CHEBI:277842) is a macrolide (CHEBI:25106)
amphotericin B methyl ester (CHEBI:277842) is a methyl ester (CHEBI:25248)
amphotericin B methyl ester (CHEBI:277842) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
methyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
Synonyms Sources
AME ChEBI
Amphotericin B Me Ester ChEMBL
Methylamphotericin B ChemIDplus
Registry Numbers Types Sources
36148-89-7 CAS Registry Number ChemIDplus
6264916 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22788845 PubMed citation Europe PMC
Last Modified
06 March 2015