N-demethyllincomycin

Chemical Formula:

C₁₇H₃₃N₂O₆S

Molecular Weight:

393.517 Daltons

Monoisotopic Mass:

393.2059324923 Daltons

SMILES:

CCCC1(C[N+]C(C1)C(=O)NC(C(O)C)C2(C(O)C(C(O)C(SC)O2)O))

InChI:

1S/C17H32N2O6S/c1-4-5-9-6-10(18-7-9)16(24)19-11(8(2)20)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17-18,20-23H,4-7H2,1-3H3,(H,19,24)/p+1/t8-,9-,10?,11-,12+,13-,14-,15-,17-/m1/s1

InChIKey:

DKHKYHYYYGYWHY-WIWPPQIXSA-O

Databases

MetaCyc: CPD-13897

PubChem (CID): 90659049