α-D-galactosyl-(1,3)-β-D-galactosyl-(1,4)-N-acetyl-D-glucosamine

Chemical Formula:

C₂₀H₃₅NO₁₆

Molecular Weight:

545.494 Daltons

Monoisotopic Mass:

545.1955840823 Daltons

SMILES:

CC(=O)NC3(C(O)OC(CO)C(OC2(OC(CO)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)2))C(O)3)

InChI:

1S/C20H35NO16/c1-5(25)21-9-12(28)16(8(4-24)33-18(9)32)36-20-15(31)17(11(27)7(3-23)35-20)37-19-14(30)13(29)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9?,10+,11+,12-,13+,14-,15-,16-,17+,18-,19-,20+/m1/s1

InChIKey:

NNISLDGFPWIBDF-LKTSHGCLSA-N

Databases

MetaCyc: ALPHA-D-GALACTOSYL-13-BETA-D-GALACTOS

ChEBI: 18217

PubChem (CID): 25200703

KEGG: C04847

Seed: cpd02944

MetaNetX: MNXM41047