(Q27225258)

2-glutathionyl-2-methylbut-3-enal (English)

12 October 2016

chemical formula

C₁₅H₂₂N₃O₇S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C=C)(C=O)SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+]

1 reference

2-glutathionyl-2-methylbut-3-enal (English)

12 October 2016

isomeric SMILES

CC(C=C)(C=O)SC[C@@H](C(=O)NCC(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+]

1 reference

2-glutathionyl-2-methylbut-3-enal (English)

InChI=1S/C15H23N3O7S/c1-3-15(2,8-19)26-7-10(13(23)17-6-12(21)22)18-11(20)5-4-9(16)14(24)25/h3,8-10H,1,4-7,16H2,2H3,(H,17,23)(H,18,20)(H,21,22)(H,24,25)/p-1/t9-,10-,15?/m0/s1

12 October 2016

Identifiers

InChI

1 reference

2-glutathionyl-2-methylbut-3-enal (English)

KTSZDHMDBQVCIB-WUAMPTBBSA-M

12 October 2016

InChIKey

2 references

2-glutathionyl-2-methylbut-3-enal (English)

12 October 2016

stated in

ChEBI release 2020-09-01

2 references

2-glutathionyl-2-methylbut-3-enal (English)

matched by identifier from

12 October 2016

InChIKey

KTSZDHMDBQVCIB-WUAMPTBBSA-M

ChEBI ID

131798

mapping relation type

2 references

S-(2-methyl-1-oxobut-3-en-2-yl)glutathione(1-) (English)