2-(glutathion-S-yl)-2-methylbut-3-enal

Chemical Formula:

C₁₅H₂₂N₃O₇S

Molecular Weight:

388.415 Daltons

Monoisotopic Mass:

390.1334958307 Daltons

SMILES:

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

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

InChIKey:

KTSZDHMDBQVCIB-WUAMPTBBSA-M

Synonyms

2-glutathionyl-2-methylbut-3-enal

Databases

MetaCyc: CPD-19031

ChEBI: 131798

PubChem (CID): 118987353

MetaNetX: MNXM162518