Hawkinsin
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Hawkinsin
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CAS No:
63224-90-8
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Formula:
C11H17NO6S
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Chemical Name:
Hawkinsin
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Synonyms:
2-Cyclohexene-1-acetic acid,6-[(2-amino-2-carboxyethyl)thio]-1,4-dihydroxy-;6-[(2-Amino-2-carboxyethyl)thio]-1,4-dihydroxy-2-cyclohexene-1-acetic acid;Hawkinsin
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CAS No:
Description
Solid
Solid
Hawkinsin is a cysteine derivative that is cysteine in which the thiol group is substituted by a [2-(carboxymethyl)-2,5-dihydroxycyclohex-3-en-1-yl]sulfanediyl group. Hawkinsinuria is an inherited disorder which is characterized by the inability to break down the amino acid tyrosine. This results in the finding of certain metabolites in the urine, such as hawkinsin. It has a role as a biomarker and a human urinary metabolite. It is a dicarboxylic acid, a cysteine derivative, a cycloalkene, a diol, a tertiary allylic alcohol and a secondary allylic alcohol.
Computed Properties
Molecular Weight:291.32
XLogP3:-3.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:291.07765844
Monoisotopic Mass:291.07765844
Topological Polar Surface Area:166
Heavy Atom Count:19
Complexity:387
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes