1-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1-deoxy-beta-D-glucopyranuronic acid
基本情報
- CAS
59862-05-4- 標準SMILES
Nc1ccn([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(=O)n1- InChIKey
CHKIQPXDGYGCHW-YOWKYNACSA-N- 分子式
- C10H13N3O7
- 平均分子量
- 287.23 g/mol
- 単同位体質量
- 287.07534976
概要
Cytosylglucuronic acid is an N-glycosyl compound that is cytosine in which the proton at position 1 is replaced by a beta-D-glucuronosyl residue. It has a role as a bacterial metabolite. It is a N-glycosyl compound, a nucleobase-containing molecular entity, a monosaccharide derivative and a carbohydrate acid derivative. It is functionally related to a cytosine and a beta-D-glucuronic acid. It is a conjugate acid of a cytosylglucuronate.
名称と識別子
- 優先名称
- 1-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1-deoxy-beta-D-glucopyranuronic acid
- IUPAC
- (2S,3S,4S,5R,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid
名称と別名
Pentopyranic acid59862-05-41-(beta-D-Glucopyranosyluronic acid)cytosine(2S,3S,4S,5R,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3,4,5-trihydroxyoxane-2-carboxylic acidbeta-D-Glucopyranuronic acid, 1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-deoxy-RefChem:9073381-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1-deoxy-beta-D-glucopyranuronic acidCytosylglucuronic acid(2~{S},3~{S},4~{S},5~{R},6~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acidcytosyl-beta-D-glucuronic acid1-(beta-D-glucuronosyl)cytosineDTXSID00975264
名称をさらに表示
CHEBI:132133Q272254351-Hexopyranuronosyl-4-imino-1,4-dihydropyrimidin-2-ol4-amino-1-beta-D-glucopyranuronosylpyrimidin-2(1H)-one1-beta-D-Glucopyranuronosyl-4-imino-1,4-dihydropyrimidin-2-ol7QO
データベース識別子
- CAS
59862-05-4- PubChem CID
- 191536
- DTXSID
物性
構造計算による物性
- XLogP
- -2.1
- 極性表面積
- 166 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 7
- 回転可能結合数
- 2
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 491
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