(glutathion-S-yl)-4-hydroxy-2-nonenal

Chemical Formula:

C₁₉H₃₂N₃O₈S

Molecular Weight:

462.537 Daltons

Monoisotopic Mass:

464.2066607738 Daltons

SMILES:

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

InChI:

1S/C19H33N3O8S/c1-2-3-4-5-14(24)15(8-9-23)31-11-13(18(28)21-10-17(26)27)22-16(25)7-6-12(20)19(29)30/h9,12-15,24H,2-8,10-11,20H2,1H3,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/p-1/t12-,13-,14?,15?/m0/s1

InChIKey:

NOKRNJLENDLSKM-HESLUPGFSA-M

Databases

MetaCyc: CPD-14704

PubChem (CID): 90657725 134820110

Seed: cpd30778

MetaNetX: MNXM97408