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CHEBI:133881 - S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione(1−)

ChEBI IDCHEBI:133881
ChEBI NameS-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione(1−)
Stars
ASCII NameS-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione(1-)
DefinitionA peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione; major species at pH 7.3.
Last Modified6 March 2017
Submittergemma
DownloadsMolfile
FormulaC21H24N3O8S
Net Charge-1
Average Mass478.503
Monoisotopic Mass478.12896
SMILESCc1c(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])c(O)c2ccccc2c1O
InChIInChI=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)/p-1/t13-,14-/m0/s1
InChIKeyAELCICNFWFTRPE-KBPBESRZSA-M
ChEBI Ontology
Outgoing Relation(s)
S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione(1−) (CHEBI:133881) is a peptide anion (CHEBI:60334)
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)
Incoming Relation(s)
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)
IUPAC Name 
(2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(1,4-dihydroxy-3-methylnaphthalen-2-yl)sulfanyl]-1-oxopropan-2-yl}amino)-5-oxopentanoate
Synonym  Source
menadiolglutathione(1)ChEBI
Citations