基本情報
- CAS
70333-82-3- 標準SMILES
CSc1nc(NC(=O)N[C@H](C(=O)O)[C@@H](C)O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1- InChIKey
MMNYGKPAZBIRKN-DWVDDHQFSA-N- 分子式
- C16H22N6O8S
- 平均分子量
- 458.4 g/mol
- 単同位体質量
- 458.12198285
概要
N-[(9-beta-D-ribofuranosyl-2-methylthiopurin-6-yl)carbamoyl]threonine is an N-(adenosin-N6-ylcarbonyl)threonine in which the adenosine ring is carrying a 2-methylthio substituent. It is a N-(adenosin-N(6)-ylcarbonyl)threonine and a L-threonine derivative. It is functionally related to an adenosine.
名称と識別子
- 優先名称
- 2-methylthio-N6-threonylcarbamoyladenosine
- IUPAC
- (2S,3R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylsulfanylpurin-6-yl]carbamoylamino]-3-hydroxybutanoic acid
- 英語名
- N-((9-beta-D-ribofuranosyl-2-methylthiopurine-6-yl)carbamoyl)threonine
- 分子式
- C16H22N6O8S
- 分子量
- 458.45
名称と別名
70333-82-3Rmtpctms(2)t(6)aN-((9-beta-D-Ribofuranosyl-2-methylthiopurine-6-yl)carbamoyl)threonine2-methylthio-n6-threonylcarbamoyladenosineL-Threonine, N-(((2-(methylthio)-9-beta-D-ribofuranosyl-9H-purin-6-yl)amino)carbonyl)-ms2t6ARefChem:910113n-[(9-beta-d-ribofuranosyl-2-methylthiopurin-6-yl)carbamoyl]threonine(2S,3R)-2-(3-(9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-(methylthio)-9H-purin-6-yl)ureido)-3-hydroxybutanoic acidN-[(9-beta-D-ribofuranosyl-2-methylthiopurin-6-yl)carbamoyl]-L-threonine(2S,3R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylsulfanylpurin-6-yl]carbamoylamino]-3-hydroxybutanoic acid
名称をさらに表示
MMNYGKPAZBIRKN-JZYLKBOGSA-N2-thiomethyl-L-N6-threonylcarbamoyladenosine13C5]-2-Methylthio-N6-threonylcarbamoyladenosine2-Methylthio-N6-threonyl carbamoyl adenosine, RNA modified nucleoside ms2t6AL-Threonine, N-[[[2-(methylthio)-9-β-D-ribofuranosyl-9H-purin-6-yl]amino]carbonyl]-
物性
構造計算による物性
- XLogP
- -1.7
- 極性表面積
- 237 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 12
- 回転可能結合数
- 7
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 664
物理化学的性質
- 比重(密度)
- 1.91 · 1.91±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 1.85 · 1.85±0.10(Predicted)
化学と産業
応用分野
使用2-Methylthio-N6-threonylcarbamoyladenosine is a hypermodified form of Adenosine (A280400) found in bacterial and eukaryotic tRNAs at the A37 position adjacent to the 3’-end of the anticodon, which is essential for efficient and highly accurate protein translation by the ribosome.
サプライヤー9 社
Aladdin Scientific[email protected]
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杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
攀纳燊（河南）医药科学技术有限公司0371-55159968 18137130222 · [email protected]
補足説明
定義ChEBI: An N-(adenosin-N6-ylcarbonyl)threonine in which the adenosine ring is carrying a 2-methylthio substituent.
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