**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

grixazone B

Properties Image MNX_ID MNXM114678 reference chebi:73483 formula C18H13N3O7S global charge -2 mol weight 415.383 InChIKey KUPQDUIOULXTJZ-JTQLQIEISA-L 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)/p-2/t10-/m0/s1 SMILES CC(=O)N[C@@H](CSc1c2nc3cc(C(=O)[O-])ccc3oc-2cc(=O)c1N)C(=O)[O-] MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [cH:1]1[c:2]([C:15](=[CH2:16])[CH3:17])[cH:3][cH:4][c:5]2[c:6]1[CH:7]=[c:10]1[c:9]([cH:12][c:13](=[CH2:18])[c:14]([NH2:19])[c:11]1[NH:20][NH:21][O:22]([O:23](=[O:25])[OH:26])[O:24][O:27]([OH:28])=[S:29])[CH2:8]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:73483 chebi:73483 KUPQDUIOULXTJZ-JTQLQIEISA-L	grixazone B 1-{[(2R)-2-acetamido-2-carboxylatoethyl]sulfanyl}-2-amino-3-oxo-3H-phenoxazine-8-carboxylate grixazone B dianion grixazone B(2-)
kegg.compound:C20799 keggC:C20799 KUPQDUIOULXTJZ-JTQLQIEISA-N	Grixazone B
seed.compound:cpd31358 seedM:cpd31358 KUPQDUIOULXTJZ-JTQLQIEISA-L	Grixazone B 1-[[2-(acetylamino)-2-carboxyethyl]thio]-2-amino-3-oxo-8-carboxyl-3H-phenoxiazine grixazone B
metacyc.compound:CPD-14875 metacycM:CPD-14875 KUPQDUIOULXTJZ-JTQLQIEISA-L	grixazone B 1-[[2-(acetylamino)-2-carboxyethyl]thio]-2-amino-3-oxo-8-carboxyl-3H-phenoxiazine
CHEBI:73548 chebi:73548 KUPQDUIOULXTJZ-JTQLQIEISA-N	grixazone B 1-{[(2R)-2-acetamido-2-carboxylatoethyl]sulfanyl}-2-amino-3-oxo-3H-phenoxazine-8-carboxylic acid
keggC:M_C20799 seedM:M_cpd31358	secondary/obsolete/fantasy identifier