CHEBI:136423 - S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione
ChEBI ID CHEBI:136423
ChEBI ASCII Name S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione
Definition A glutathione conjugate in which the mercapto hydrogen of glutathione has been replaced by a 1,4-dihydroxy-3-methylnaphthalen-2-yl group
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H25N3O8S
Net Charge 0
Average Mass 479.505
Monoisotopic Mass 479.13624
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
SMILES [C@H](C(NCC(=O)O)=O)(NC(CC[C@@H](C(=O)O)N)=O)CSC1=C(C(=C2C=CC=CC2=C1O)O)C
ChEBI Ontology
Outgoing 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 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 Sources
2-methyl-3-(glutathion-S-yl)-1,4-naphthoquinone ChEBI
2-Methyl-3-glutathionyl-1,4-naphthoquinone ChemIDplus
M-Gssg-NQ ChemIDplus
menadiolglutathione ChEBI
Registry Numbers Types Sources
88467-65-6 CAS Registry Number ChemIDplus
9885877 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1990978 PubMed citation Europe PMC
2363184 PubMed citation Europe PMC
24756107 PubMed citation Europe PMC
6191666 PubMed citation Europe PMC
Last Modified
06 March 2017