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CHEBI:77008 - 1β-glutathionylseleno-N-acetyl-D-galactosamine
| Formula | C18H30N4O11SSe |
| Net Charge | 0 |
| Average Mass | 589.482 |
| Monoisotopic Mass | 590.07970 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1[Se]SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O |
| InChI | InChI=1S/C18H30N4O11SSe/c1-7(24)21-13-15(29)14(28)10(5-23)33-18(13)35-34-6-9(16(30)20-4-12(26)27)22-11(25)3-2-8(19)17(31)32/h8-10,13-15,18,23,28-29H,2-6,19H2,1H3,(H,20,30)(H,21,24)(H,22,25)(H,26,27)(H,31,32)/t8-,9-,10+,13+,14-,15+,18-/m0/s1 |
| InChIKey | HQOJMKFQHAKPHO-YOHQSKSESA-N |
| Roles Classification |
|---|
| Biological Role: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1β-glutathionylseleno-N-acetyl-D-galactosamine (CHEBI:77008) has functional parent N-acetyl-β-D-galactosamine (CHEBI:28497) |
| 1β-glutathionylseleno-N-acetyl-D-galactosamine (CHEBI:77008) has role human xenobiotic metabolite (CHEBI:76967) |
| 1β-glutathionylseleno-N-acetyl-D-galactosamine (CHEBI:77008) is a glutathione conjugate (CHEBI:24335) |
| 1β-glutathionylseleno-N-acetyl-D-galactosamine (CHEBI:77008) is a monosaccharide derivative (CHEBI:63367) |
| 1β-glutathionylseleno-N-acetyl-D-galactosamine (CHEBI:77008) is a organoselenium compound (CHEBI:25712) |
| 1β-glutathionylseleno-N-acetyl-D-galactosamine (CHEBI:77008) is a thioselenide (CHEBI:64726) |
| IUPAC Name |
|---|
| (2S)-5-({(2R)-3-({[(2S,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]selanyl}sulfanyl)-1-[(carboxymethyl)amino]-1-oxopropan-2-yl}amino)-2-amino-5-oxopentanoic acid |
| Synonyms | Source |
|---|---|
| selenosugar A | ChEBI |
| GSSe-β-GalNAc | ChEBI |
| GSSebGalNac | ChEBI |
| Citations |
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