(Q27115812)

1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene (English)

6 October 2016

chemical formula

C₂₀H₂₄N₄O₉S

1 reference

1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene (English)

6 October 2016

canonical SMILES

C1=CC2=C(C(C(C=C2)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=C1)[N+](=O)[O-]

1 reference

1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene (English)

6 October 2016

isomeric SMILES

C1=CC2=C(C(C(C=C2)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=C1)[N+](=O)[O-]

1 reference

1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene (English)

InChI=1S/C20H24N4O9S/c21-11(20(30)31)5-7-15(26)23-12(19(29)22-8-16(27)28)9-34-18-14(25)6-4-10-2-1-3-13(17(10)18)24(32)33/h1-4,6,11-12,14,18,25H,5,7-9,21H2,(H,22,29)(H,23,26)(H,27,28)(H,30,31)/t11-,12-,14?,18?/m0/s1

6 October 2016

Identifiers

InChI

1 reference

1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene (English)

RQCSOWVLCHNLLC-WXFCVCCESA-N

6 October 2016

InChIKey

2 references

1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

L-gamma-Glutamyl-S-(2-hydroxy-8-nitro-1,2-dihydro-1-naphthalenyl)-L-cysteinylglycine (English)

6 October 2016

1 reference

1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene (English)

6 October 2016

ChEBI ID

34103

mapping relation type

1 reference

Human Metabolome Database ID

1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene (English)

6 October 2016

1 reference

HMDB0060330

1 reference

based on heuristic

inferred from InChIKey

1 reference

1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene (English)