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CHEBI:73546 - grixazone A

ChEBI IDCHEBI:73546
ChEBI Namegrixazone A
Stars
DefinitionA cysteine derivative that is the S-(2-amino-8-formyl-3-oxo-3H-phenoxazin-1-yl) derivative of N-acetyl-L-cysteine.
Last Modified20 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC18H15N3O6S
Net Charge0
Average Mass401.400
Monoisotopic Mass401.06816
SMILES[H]C(=O)c1ccc2oc3cc(=O)c(N)c(SC[C@H](NC(C)=O)C(=O)O)c-3nc2c1
InChIInChI=1S/C18H15N3O6S/c1-8(23)20-11(18(25)26)7-28-17-15(19)12(24)5-14-16(17)21-10-4-9(6-22)2-3-13(10)27-14/h2-6,11H,7,19H2,1H3,(H,20,23)(H,25,26)/t11-/m0/s1
InChIKeyCBXHEDPBKOZZSI-NSHDSACASA-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 A (CHEBI:73546) has role metabolite (CHEBI:25212)
grixazone A (CHEBI:73546) is a N-acetyl-amino acid (CHEBI:21575)
grixazone A (CHEBI:73546) is a L-cysteine derivative (CHEBI:83824)
grixazone A (CHEBI:73546) is a arenecarbaldehyde (CHEBI:33855)
grixazone A (CHEBI:73546) is a phenoxazine (CHEBI:25970)
grixazone A (CHEBI:73546) is conjugate acid of grixazone A(1−) (CHEBI:73482)
Incoming Relation(s)
grixazone A(1−) (CHEBI:73482) is conjugate base of grixazone A (CHEBI:73546)
IUPAC Name 
N-acetyl-S-(2-amino-8-formyl-3-oxo-3H-phenoxazin-1-yl)-L-cysteine
Manual XrefsDatabases
CPD-14874MetaCyc
Citations