2-S-cysteinyldopaquinone

2-<i>S</i>-cysteinyldopaquinone




Chemical Formula:
C12H14N2O6S
Molecular Weight:
314.312 Daltons
Monoisotopic Mass:
316.0729069466 Daltons
SMILES:
C(SC1(C(C(C=CC=1CC(C(=O)[O-])[N+])=O)=O))C(C(=O)[O-])[N+]
InChI:
1S/C12H14N2O6S/c13-6(11(17)18)3-5-1-2-8(15)9(16)10(5)21-4-7(14)12(19)20/h1-2,6-7H,3-4,13-14H2,(H,17,18)(H,19,20)/t6-,7-/m0/s1
InChIKey:
WZVBMYNCJXSJII-BQBZGAKWSA-N

Databases
MetaCyc:  CPD-20261
PubChem (CID):  131841509