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grixazone A

Properties Image MNX_ID MNXM114513 reference chebi:73482 formula C18H14N3O6S global charge -1 mol weight 400.392 InChIKey CBXHEDPBKOZZSI-NSHDSACASA-M InChI InChI=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)/p-1/t11-/m0/s1 SMILES CC(=O)N[C@@H](CSc1c2nc3cc(C=O)ccc3oc-2cc(=O)c1N)C(=O)[O-] MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [cH:1]1[c:2]([CH:15]=[CH2:16])[cH:3][cH:4][c:5]2[c:6]1[CH:7]=[c:10]1[c:9]([cH:12][c:13](=[CH2:17])[c:14]([CH3:18])[c:11]1[NH:19][NH:20][N:21]([O:22](=[O:24])[OH:25])[O:23][O:26]([OH:27])=[S:28])[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:73482 chebi:73482 CBXHEDPBKOZZSI-NSHDSACASA-M	grixazone A (2R)-2-acetamido-3-[(2-amino-8-formyl-3-oxo-3H-phenoxazin-1-yl)sulfanyl]propanoate grixazone A anion grixazone A(1-)
seed.compound:cpd33480 seedM:cpd33480 CBXHEDPBKOZZSI-NSHDSACASA-M	1-[[2-(acetylamino)-2-carboxyethyl]thio]-2-amino-3-oxo-8-formyl-3H-phenoxiazine grixazone A
metacyc.compound:CPD-14874 metacycM:CPD-14874 CBXHEDPBKOZZSI-NSHDSACASA-M	grixazone A 1-[[2-(acetylamino)-2-carboxyethyl]thio]-2-amino-3-oxo-8-formyl-3H-phenoxiazine
CHEBI:73546 chebi:73546 CBXHEDPBKOZZSI-NSHDSACASA-N	grixazone A N-acetyl-S-(2-amino-8-formyl-3-oxo-3H-phenoxazin-1-yl)-L-cysteine
seedM:M_cpd33480	secondary/obsolete/fantasy identifier