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grixazone B

Properties

Image

Occurences in reactions

MNX_ID

MNXM114678

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

formula

C₁₈H₁₃N₃O₇S

charge

-2

mass

415.376

reference

chebi:73483

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

[CH3:1][C:7](=[N:20][C@@H:10]([CH2:6][S:29][c:16]1[c:14]([NH2:19])[c:11](=[O:23])[cH:5][c:13]2[o:28][c:12]3[cH:3][cH:2][c:8]([C:17](=[O:24])[OH:25])[cH:4][c:9]3[n:21][c:15]1-2)[C:18](=[O:26])[OH:27])[OH:22]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:73483 chebi:73483	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	Grixazone B
seed.compound:cpd31358 seedM:cpd31358	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	grixazone B 1-[[2-(acetylamino)-2-carboxyethyl]thio]-2-amino-3-oxo-8-carboxyl-3H-phenoxiazine
CHEBI:73548 chebi:73548	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