CHEBI:73548 - grixazone B

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ChEBI Name grixazone B
ChEBI ID CHEBI:73548
Definition A cysteine derivative that is the S-(2-amino-8-carboxy-3-oxo-3H-phenoxazin-1-yl) derivative of N-acetyl-L-cysteine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H15N3O7S
Net Charge 0
Average Mass 417.39300
Monoisotopic Mass 417.06307
InChI InChI=1S/C18H15N3O7S/c1-7(22)20-10(18(26)27)6-29-16-14(19)11(23)5-13-15(16)21-9-4-8(17(24)25)2-3-12(9)28-13/h2-5,10H,6,19H2,1H3,(H,20,22)(H,24,25)(H,26,27)/t10-/m0/s1
InChIKey KUPQDUIOULXTJZ-JTQLQIEISA-N
SMILES CC(=O)N[C@@H](CSc1c(N)c(=O)cc2oc3ccc(cc3nc12)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing grixazone B (CHEBI:73548) has role metabolite (CHEBI:25212)
grixazone B (CHEBI:73548) is a N-acetyl-amino acid (CHEBI:21575)
grixazone B (CHEBI:73548) is a L-cysteine derivative (CHEBI:83824)
grixazone B (CHEBI:73548) is a cysteine derivative (CHEBI:23509)
grixazone B (CHEBI:73548) is a phenoxazine (CHEBI:25970)
grixazone B (CHEBI:73548) is conjugate acid of grixazone B(2−) (CHEBI:73483)
Incoming grixazone B(2−) (CHEBI:73483) is conjugate base of grixazone B (CHEBI:73548)
IUPAC Name
1-{[(2R)-2-acetamido-2-carboxylatoethyl]sulfanyl}-2-amino-3-oxo-3H-phenoxazine-8-carboxylic acid
Manual Xref Database
CPD-14875 MetaCyc
View more database links
Registry Number Type Source
20932870 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15152808 PubMed citation Europe PMC
17003031 PubMed citation Europe PMC
Last Modified
20 November 2014