DL-乙硫氨酸 | 67-21-0
中文名称:
DL-乙硫氨酸
英文名称:
D,L-Ethionine
CAS No.:
67-21-0
分子式:
C6 H1 3 NO2 S
分子量:
163.2379
名称和标识符
MDL
MFCD00063102
InChIKey
GGLZPLKKBSSKCX-UHFFFAOYSA-N
Inchi
1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
SMILES
S(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])(C(=O)O[H])N([H])[H]
BRN
1722529
别名信息
- 中文别名 -
DL-乙硫氨酸
DL-乙硫氨基酪酸
1,3-二丁基-1,1,3,3-四甲基硅氮烷
DL-Ethionine DL-乙硫氨基酪酸
DL-乙硫氨酸,BR
DL-乙硫胺酸
乙硫氨基酪酸
DL-S-乙基高半胱氨酸
DL-乙硫氨基丁酸
DL-乙硫氨基丁酸,DL-乙硫氨基酪酸,DL-S-乙基高半胱氨酸
DL-乙硫氨基酪酸,乙基蛋氨酸
乙硫胺酸
- 英文别名 -
DL-Ethionine
DL-2-Amino-4-(ethylthio)butyric acid
DL-2-Amino-4-(ethylthio)butyric acid~S-Ethyl-DL-homocysteine
Homocysteine, S-ethyl-
2-amino-4-ethylsulfanyl-butyric acid
Aethionin
cn8676
d,l-Ethionin
ETH
Ethionin
Ethionine
S-ethyl-DL-homocysteine
S-ethyl-homocysteine
U-1434
NSC-751
CN 8676
S-ethylhomocysteine
2-Amino-4-(ethylthio)butanoic acid
2-Amino-4-(ethylthio)butyric acid
DL-Homocysteine, S-ethyl-
Ethionine, DL-
(+-)-Ethionine
Butyric acid, DL-2-amino-4-(ethylthio)-
2-amino-4-(ethylsulfanyl)butanoic acid
NSC97927
Butyric acid, 2-amino-4-(ethylthio)-, DL-
2-amino-4-ethylsulfanylbutanoic acid
B
S-Ethyl-DL-homocysteine
2-Amino-4-ethylmercaptobutyric acid
Butyric acid, 2-amino-4-(ethylthio)-
NS00078830
D,L-ethionine
HY-W017202
(+/-)-Ethionine
Butyric acid, D-
CCRIS 288
67-21-0
(.+/-.)-Ethionine
FT-0625457
DL-alpha-Amino-gamma-(ethylmercapto)butyric acid
MFCD00063102
FT-0668059
E-4500
SY101955
EINECS 200-647-0
EN300-1299877
CHEBI:68662
UNII-92AK1Y27MZ
WLN: QVYZ2S2
2-amino-4-ethylsulfanyl-butanoic acid
AKOS022067307
92AK1Y27MZ
GS-3106
BRN 1722529
SCHEMBL8966
ETHIONINE DL-FORM [MI]
CS-W017918
FT-0624531
1-carboxy-3-ethylthiopropylamine
DTXSID0020579
E0038
Q27137089
CCG-40489
DL-Ethionine, >=95% (TLC)
NSC 751
AKOS003389839
NSC-97927
CHEMBL1998607
NSC82393
2-Amino-4-(ethylthio)butanoicacid
(.+-.)-Ethionine
4-04-00-03194 (Beilstein Handbook Reference)
CN-8676
DL-ETHIONINE
NSC751
物化性质
实验特性
LogP
1.24180
PSA
88.62000
Merck
3738
折射率
1.5500 (estimate)
水溶性
Soluble in water.
沸点
310 ºC
熔点
265-268 °C
闪点
142 ºC
颜色与性状
白色片状结晶。
溶解性
溶于水、稀酸和稀碱溶液,不溶于乙醚。
敏感性
对光敏感
密度
1.164
计算特性
精确分子量
163.06700
氢键供体数量
2
氢键受体数量
4
可旋转化学键数量
5
同位素质量
163.067
重原子数量
10
复杂度
108
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
1
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
-1.5
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
88.6
相关文献
1.
Rationally engineered variants of S-adenosylmethionine (SAM) synthase: reduced product inhibition and synthesis of artificial cofactor homologues
M. Dippe,W. Brandt,H. Rost,A. Porzel,J. Schmidt,L. A. Wessjohann Chem. Commun. 2015 51 3637
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Pengfei Cui,Xue Yang,Yunliang Li,Qiufang Liang,Yucheng Wang,Feng Lu,John Owusu,Shanfen Huang,Xiaofeng Ren,Haile Ma Food Funct. 2020 11 4403
3.
887. Some potential amino-acid antagonists and related compounds
T. A. Connors,A. B. Mauger,Margaret A. Peutherer,W. C. J. Ross J. Chem. Soc. 1962 4601
4.
Intriguing cellular processing of a fluorinated amino acid during protein biosynthesis in Escherichia coli
Mark D. Vaughan,Zhengding Su,Elisabeth Daub,J. F. Honek Org. Biomol. Chem. 2016 14 8942
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Brian J. C. Law,Anna-Winona Struck,Matthew R. Bennett,Barrie Wilkinson,Jason Micklefield Chem. Sci. 2015 6 2885
6.
Biological chemistry
D. J. Manners,C. P. Whittingham,A. P. Ryle,G. A. Maw Annu. Rep. Prog. Chem. 1966 63 577
7.
Electron spin resonance study of the reactions of hydrogen atoms in aqueous sulphuric acid glasses. Part 3.—Reaction with biochemicals containing sulphur
Howard R. Falle,Frederick S. Dainton,G. Arthur Salmon J. Chem. Soc. Faraday Trans. 2 1976 72 2014
8.
A bicyclic S-adenosylmethionine regeneration system applicable with different nucleosides or nucleotides as cofactor building blocks
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参考资料
Reaxys RN
1722529
Beilstein
1722529
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