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CHEBI:136423 - S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione
| Formula | C21H25N3O8S |
| Net Charge | 0 |
| Average Mass | 479.511 |
| Monoisotopic Mass | 479.13624 |
| SMILES | Cc1c(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c(O)c2ccccc2c1O |
| InChI | InChI=1S/C21H25N3O8S/c1-10-17(28)11-4-2-3-5-12(11)18(29)19(10)33-9-14(20(30)23-8-16(26)27)24-15(25)7-6-13(22)21(31)32/h2-5,13-14,28-29H,6-9,22H2,1H3,(H,23,30)(H,24,25)(H,26,27)(H,31,32)/t13-,14-/m0/s1 |
| InChIKey | AELCICNFWFTRPE-KBPBESRZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione (CHEBI:136423) has functional parent menadiol (CHEBI:6746) |
| S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione (CHEBI:136423) is a aryl sulfide (CHEBI:35683) |
| S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione (CHEBI:136423) is a glutathione conjugate (CHEBI:24335) |
| S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione (CHEBI:136423) is a naphthalenediols (CHEBI:23783) |
| S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione (CHEBI:136423) is conjugate acid of S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione(1−) (CHEBI:133881) |
| Incoming Relation(s) |
| S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione(1−) (CHEBI:133881) is conjugate base of S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione (CHEBI:136423) |
| IUPAC Name |
|---|
| L-γ-glutamyl-S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)-L-cysteinylglycine |
| Synonyms | Source |
|---|---|
| menadiolglutathione | ChEBI |
| M-Gssg-NQ | ChemIDplus |
| 2-Methyl-3-glutathionyl-1,4-naphthoquinone | ChemIDplus |
| 2-methyl-3-(glutathion-S-yl)-1,4-naphthoquinone | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:9885877 | Reaxys |
| CAS:88467-65-6 | ChemIDplus |
| Citations |
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