Amphotericin B monomethyl ester
基本情報
- CAS
36148-89-7- 標準SMILES
COC(=O)[C@H]1[C@@H]2C[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]1O)O2- InChIKey
UAZIZEMIKKIBCA-TYVGYKFWSA-N- 分子式
- C48H75NO17
- 平均分子量
- 938.1 g/mol
- 単同位体質量
- 937.50349992
概要
Amphotericin B methyl ester is the methyl ester of amphotericin B. It has a role as a metabolite, an antiinfective agent and an antifungal agent. It is a macrolide, a methyl ester and a monosaccharide derivative. It is functionally related to an amphotericin B.
名称と識別子
- 優先名称
- Amphotericin B monomethyl ester
- IUPAC
- methyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]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
名称と別名
AMPHOTERICIN B METHYL ESTERMethylamphotericin B36148-89-7074Z98YIW3Amphotericin B monomethyl esterCHEBI:277842DTXSID701009331methyl (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-beta-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-carboxylatemethyl (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-beta-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-carboxylateRefChem:915765DTXCID301436160Amphotericin B Me Ester
名称をさらに表示
methyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]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-carboxylateAmphotericin B-13C6 Methyl EsterAmphotericin B Methyl Ester 90%UNII-074Z98YIW3CHEMBL321176SCHEMBL20988147UAZIZEMIKKIBCA-TYVGYKFWSA-N36148-89-7 (non-labelled)
データベース識別子
- CAS
36148-89-7- PubChem CID
- 11968030
- DTXSID
DTXSID701009331- ChEMBL
CHEMBL321176- ChEBI
CHEBI:277842- UNII
- 074Z98YIW3
物性
構造計算による物性
- XLogP
- 2.6
- 極性表面積
- 309 Ų
- 水素結合供与体数
- 11
- 水素結合受容体数
- 18
- 回転可能結合数
- 4
- 重原子数
- 66
- 形式電荷
- 0
- 複雑度
- 1,680
化学と産業
薬理情報
MeSH Pharmacological ClassificationSubstances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
関連反応
5 件
化合物ノート
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