mycothiol-arsenate conjugate

Chemical Formula:

C₁₇H₂₉N₂O₁₅SAS

Molecular Weight:

608.402 Daltons

Monoisotopic Mass:

610.066110427 Daltons

SMILES:

CC(=O)NC(CS[As]([O-])(=O)[O-])C(=O)NC2(C(OC1(C(O)C(O)C(O)C(O)C(O)1))OC(C(C2O)O)CO)

InChI:

1S/C17H31AsN2O15S/c1-4(22)19-5(3-36-18(31,32)33)16(30)20-7-9(24)8(23)6(2-21)34-17(7)35-15-13(28)11(26)10(25)12(27)14(15)29/h5-15,17,21,23-29H,2-3H2,1H3,(H,19,22)(H,20,30)(H2,31,32,33)/p-2/t5-,6+,7+,8+,9+,10-,11-,12+,13+,14+,15-,17+/m0/s1

InChIKey:

UFFVRAZTLALLGR-FQBKTPCVSA-L

Synonyms

mycothiol-arsenate adduct
arseno-mycothiol

Databases

MetaCyc: CPD-12152

ChEBI: 59655

PubChem (CID): 46224551

Seed: cpd23272

MetaNetX: MNXM3916