Suberylglycine
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Suberylglycine
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CAS No:
60317-54-6
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Formula:
C10H17NO5
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Chemical Name:
Suberylglycine
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Synonyms:
Octanoic acid,8-[(carboxymethyl)amino]-8-oxo-;8-[(Carboxymethyl)amino]-8-oxooctanoic acid;Suberylglycine
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CAS No:
Characteristics
104
0.4
Solid
1.224±0.06 g/cm3(Predicted)
153.7 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|146.81 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Suberylglycine Use and Manufacturing
Suberylglycine is one of the acylglycines, an important class of metabolites that have been used in the diagnosis of several inborn errors of metabolism (IEM).
Computed Properties
Molecular Weight:231.25
XLogP3:0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:231.11067264
Monoisotopic Mass:231.11067264
Topological Polar Surface Area:104
Heavy Atom Count:16
Complexity:252
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes