1,4-Benzothiazine-O-quinonimine (CHEBI:184282)

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CHEBI:184282 - 1,4-Benzothiazine-O-quinonimine

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ChEBI ID	CHEBI:184282
ChEBI Name	1,4-Benzothiazine-O-quinonimine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H12N2O5S
Net Charge	0
Average Mass	296.304
Monoisotopic Mass	296.04669
SMILES	N[C@H](CC1=CC(=O)C2=N[C@@H](C(=O)O)CSC2=C1)C(=O)O
InChI	InChI=1S/C12H12N2O5S/c13-6(11(16)17)1-5-2-8(15)10-9(3-5)20-4-7(14-10)12(18)19/h2-3,6-7H,1,4,13H2,(H,16,17)(H,18,19)/t6-,7-/m1/s1
InChIKey	NANJICKTJNNTGA-RNFRBKRXSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	serum (BTO:0001239)	MetaboLights (MTBLS3725)

Roles Classification

Biological Role:

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology

Outgoing Relation(s)
	1,4-Benzothiazine-O-quinonimine (CHEBI:184282) is a benzothiazine (CHEBI:46899)

IUPAC Name
(3S)-7-[(2R)-2-amino-2-carboxyethyl]-5-oxo-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid

Manual Xrefs	Databases
HMDB0012491	HMDB
30776615	ChemSpider