3''-deamino-3''-hydroxykanamycin C

Chemical Formula:

C₁₈H₃₈N₃O₁₂

Molecular Weight:

488.511 Daltons

Monoisotopic Mass:

488.2455487006 Daltons

SMILES:

C(O)C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)OC3(OC(CO)C(O)C(O)C(O)3))[N+]))

InChI:

1S/C18H35N3O12/c19-4-1-5(20)16(33-18-13(28)12(27)10(25)7(3-23)31-18)14(29)15(4)32-17-8(21)11(26)9(24)6(2-22)30-17/h4-18,22-29H,1-3,19-21H2/p+3/t4-,5+,6+,7+,8+,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m0/s1

InChIKey:

UPPJKCYSMDGLRE-DNBVWFFRSA-Q

Databases

MetaCyc: CPD-14153

PubChem (CID): 71296211

ChEBI: 72945

Seed: cpd17984

MetaNetX: MNXM38913

KEGG: C17999