EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:73548 - grixazone B

ChEBI IDCHEBI:73548
ChEBI Namegrixazone B
Stars
DefinitionA cysteine derivative that is the S-(2-amino-8-carboxy-3-oxo-3H-phenoxazin-1-yl) derivative of N-acetyl-L-cysteine.
Last Modified20 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC18H15N3O7S
Net Charge0
Average Mass417.399
Monoisotopic Mass417.06307
SMILESCC(=O)N[C@@H](CSc1c2nc3cc(C(=O)O)ccc3oc-2cc(=O)c1N)C(=O)O
InChIInChI=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
InChIKeyKUPQDUIOULXTJZ-JTQLQIEISA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 XrefsDatabases
CPD-14875MetaCyc
Registry NumbersSources
Reaxys:20932870Reaxys
Citations