β-1,4-D-mannopyranosyl-β-1,4-N-acetyl-D-glucosaminyl-β-1,4-N-acetyl-D-glucosaminylamine

Chemical Formula:

C₂₂H₄₀N₃O₁₅

Molecular Weight:

586.569 Daltons

Monoisotopic Mass:

586.2459426311 Daltons

SMILES:

CC(=O)NC1(C([N+])OC(CO)C(C(O)1)OC3(OC(CO)C(OC2(OC(CO)C(O)C(O)C(O)2))C(O)C(NC(=O)C)3))

InChI:

1S/C22H39N3O15/c1-6(29)24-11-14(32)18(9(4-27)36-20(11)23)39-21-12(25-7(2)30)15(33)19(10(5-28)38-21)40-22-17(35)16(34)13(31)8(3-26)37-22/h8-22,26-28,31-35H,3-5,23H2,1-2H3,(H,24,29)(H,25,30)/p+1/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18-,19-,20-,21+,22+/m1/s1

InChIKey:

NRYXKWMNFCMXOU-NOOLRNBNSA-O

Databases

MetaCyc: CPD-20274

PubChem (CID): 131841479