ChEBI
  Marvin  10170516282D          

 26 27  0  0  1  0            999 V2000
   10.1075  -15.2901    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3930  -14.0526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3930  -15.7026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6785  -14.4651    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6785  -15.2901    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3930  -16.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9641  -15.7026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9641  -14.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2496  -14.4652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6785  -16.9402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6785  -17.7652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9640  -16.5277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9640  -18.1777    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2495  -16.9402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2495  -17.7652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3930  -18.1777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9640  -19.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5351  -18.1776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5351  -16.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8206  -16.9402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8220  -16.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1075  -16.9402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8220  -15.7027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5365  -16.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1075  -14.4651    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8220  -14.0526    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
 25  1  1  0  0  0  0
 25  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  1  0  0  0
  5  7  1  1  0  0  0
  4  8  1  1  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
 10  6  1  1  0  0  0
 11 16  1  6  0  0  0
 13 17  1  1  0  0  0
 15 18  1  1  0  0  0
 14 19  1  1  0  0  0
 20 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
  1 23  1  6  0  0  0
 25 26  1  6  0  0  0
M  END
> <ID>
CHEBI:16117

> <NAME>
beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl group

> <DEFINITION>
An N-acetyl-D-galactosaminyl group in which D-Gal is linked β(1→3) to the D-GalNAc group which has α-configuration at its anomeric centre.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10387; CHEBI:12361; CHEBI:22785

> <SYNONYM>
Galbeta1-3GalNAcalpha-; Gal-(beta1,3)-GalNAc-; beta-Gal-(1->3)-alpha-GalNAc-R; beta-D-Galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl-R; beta-D-galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl group; beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl group; beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl; beta-D-Gal-(1->3)-alpha-D-GalNAc-yl group; 2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranosyl

> <IUPAC_NAME>
beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galactopyranosyl

> <FORMULA>
C14H24NO10

> <MASS>
366.34110

> <MONOISOTOPIC_MASS>
366.14002

> <CHARGE>
0

> <SMILES>
[C@@H]1([C@H](O[C@@H]([C@@H]([C@@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)CO)*)NC(=O)C

> <KEGG_COMPOUND_ACCESSION>
C04750

> <KEGG_GLYCAN_ACCESSION>
G00024

> <PUBMED_CITATION>
11530204; 17988798; 26014598; 33643275

$$$$