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830346-98-0 | 4-Imidazolidinehexanoic acid, 5-(mercaptomethyl)-2-oxo-, (4R,5R)-
CAS No: 830346-98-0 Catalog No: AG004XHY MDL No:
Product Description
Catalog Number:
AG004XHY
Chemical Name:
4-Imidazolidinehexanoic acid, 5-(mercaptomethyl)-2-oxo-, (4R,5R)-
CAS Number:
830346-98-0
Molecular Formula:
C10H18N2O3S
Molecular Weight:
246.3265
IUPAC Name:
6-[(4R,5R)-2-oxo-5-(sulfanylmethyl)imidazolidin-4-yl]hexanoic acid
InChI:
InChI=1S/C10H18N2O3S/c13-9(14)5-3-1-2-4-7-8(6-16)12-10(15)11-7/h7-8,16H,1-6H2,(H,13,14)(H2,11,12,15)/t7-,8+/m1/s1
InChI Key:
ZARFDBYKHCOTRH-SFYZADRCSA-N
SMILES:
SC[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
246.104g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
246.325g/mol
Monoisotopic Mass:
246.104g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| 9-Mercaptodethiobiotin is generated as a ligand to the [2Fe-2S]+ cluster during the reaction catalyzed by biotin synthase from Escherichia coli. | Journal of the American Chemical Society 20120606 |
| Reduction of the [2Fe-2S] cluster accompanies formation of the intermediate 9-mercaptodethiobiotin in Escherichia coli biotin synthase. | Biochemistry 20110920 |
| 9-Mercaptodethiobiotin is formed as a competent catalytic intermediate by Escherichia coli biotin synthase. | Biochemistry 20080902 |
| Further investigation on the turnover of Escherichia coli biotin synthase with dethiobiotin and 9-mercaptodethiobiotin as substrates. | Biochemistry 20041228 |
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