12H-Pyrido(3,2-a)phenoxazine-11-butanoic acid, alpha-amino-3-carboxy-1,5-dihydroxy-gamma-oxo-, radical ion(1+)
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Basic information
- CAS
142394-84-1- Standard SMILES
NC(CC(=O)c1cccc2c1Nc1c(cc(O)c3[nH]c(C(=O)O)cc(=O)c13)O2)C(=O)O- InChIKey
WSRZQBTZCCBWOL-UHFFFAOYSA-N- Molecular formula
- C20H15N3O8
- Average molar mass
- 425.3 g/mol
- Monoisotopic mass
- 425.08591445
Overview
structure given in first source; a free radical derived from hydroxanthomatin is detected with the oxidation of 3-hydroxykynurenine by horseradish peroxidase and hydrogen peroxide
Names & identifiers
- Preferred name
- 12H-Pyrido(3,2-a)phenoxazine-11-butanoic acid, alpha-amino-3-carboxy-1,5-dihydroxy-gamma-oxo-, radical ion(1+)
- IUPAC
- 11-(3-amino-3-carboxypropanoyl)-5-hydroxy-1-oxo-4,12-dihydropyrido[3,2-a]phenoxazine-3-carboxylic acid
- English name
- hydroxanthommatin
- Molecular formula
- C20H15N3O8
- Molecular weight
- 425.3484
Names & synonyms
Hydroxanthommatin142394-84-1RefChem:90808512H-Pyrido(3,2-a)phenoxazine-11-butanoic acid, alpha-amino-3-carboxy-1,5-dihydroxy-gamma-oxo-, radical ion(1+)Dihydroxanthommatin12H-Pyrido(3,2-a)phenoxazine-11-butanoic acid, alpha-amino-3-carboxy-1,5-dihydroxy-gamma-oxo-, radical ion(1+), (+-)-HydroxyxanthommatinSCHEMBL30958934DTXSID00931426C0347611-(3-amino-3-carboxy-propanoyl)-5-hydroxy-1-keto-4,12-dihydropyrido[3,2-a]phenoxazine-3-carboxylic acid11-(3-amino-3-carboxy-propanoyl)-5-hydroxy-1-oxo-4,12-dihydropyrido[3,2-a]phenoxazine-3-carboxylic acid
Show more names
11-(3-Amino-3-carboxypropanoyl)-1,5-dihydroxy-12H-pyrido[3,2-a]phenoxazine-3-carboxylic acid12H-Pyrido(3,2-a)phenoxazine-11-butanoic acid, alpha-amino-3-carboxy-1,5-dihydroxy-gamma-oxo-
Database identifiers
Properties
Computed structural propertiesFilling in
- XLogP
- -1.9
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 829
Related reactions
0 records
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Compound notes
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