amphotericin B methyl ester (CHEBI:277842)

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CHEBI:277842 - amphotericin B methyl ester

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ChEBI ID	CHEBI:277842
ChEBI Name	amphotericin B methyl ester
Stars
Definition	The methyl ester of amphotericin B.
Last Modified	6 March 2015
Downloads	Molfile

Formula	C48H75NO17
Net Charge	0
Average Mass	938.118
Monoisotopic Mass	937.50350
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
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

Roles Classification

Biological Roles:	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:	antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases.

ChEBI Ontology

Outgoing Relation(s)
	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	Source
Amphotericin B Me Ester	ChEMBL
Methylamphotericin B	ChemIDplus
AME	ChEBI

Registry Numbers	Sources
Reaxys:6264916	Reaxys
CAS:36148-89-7	ChemIDplus

Citations