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5-S-glutathionyl-aminochrome reduced

Properties

Image

Occurences in reactions

MNX_ID

MNXM151428

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	2

formula

C₁₈H₂₃N₄O₈S

charge

-1

mass

455.12421

reference

biggM:CE5545

InChIKey

OWLBFEJNNSEXED-KOLCDFICSA-M

InChI

InChI=1S/C18H24N4O8S/c19-9(18(29)30)1-2-13(24)22-11(17(28)21-6-14(25)26)7-31-16-8-3-4-20-10(8)5-12(23)15(16)27/h5,9,11,20,23,27H,1-4,6-7,19H2,(H,21,28)(H,22,24)(H,25,26)(H,29,30)/p-1/t9-,11+/m1/s1

SMILES

[NH3+][C@H](CCC([O-])=[NH+][C@@H](CSc1c(O)c(O)cc2c1CCN2)C([O-])=[NH+]CC(=O)[O-])C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:CE5545 biggM:CE5545	5-S-glutathionyl-aminochrome reduced
hmdb:HMDB0060086	5-S-Glutathionyl-aminochrome reduced (2R)-2-amino-4-{[(1R)-1-(carboxymethyl-C-hydroxycarbonimidoyl)-2-[(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid (2R)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid
hmdb:HMDB60086 biggM:M_CE5545	secondary/obsolete/fantasy identifier