ChEBI
  Marvin  09090515082D          

 23 23  0  0  1  0            999 V2000
    7.1361   -2.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510   -2.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4287   -3.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8436   -3.0182    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5510   -1.7919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4287   -3.8199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7213   -2.5937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8436   -3.8199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2585   -3.0182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0138   -3.0182    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0138   -3.8199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3064   -4.2444    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3064   -5.0462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5990   -3.8199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8916   -4.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5990   -3.0182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3064   -2.5937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8916   -2.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1841   -3.0182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7213   -4.2444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6980   -5.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9823   -5.5596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3651   -5.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  9  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  4  8  1  1  0  0  0
 10  7  1  1  0  0  0
 11 10  1  0  0  0  0
 17 10  1  0  0  0  0
 11 20  1  6  0  0  0
 12 11  1  0  0  0  0
 12 13  1  1  0  0  0
 14 12  1  0  0  0  0
 14 15  1  6  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 16 18  1  1  0  0  0
 19 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
> <ID>
CHEBI:17261

> <NAME>
N(4)-(beta-N-acetyl-D-glucosaminyl)-L-asparagine

> <DEFINITION>
An N4-glycosyl-L-asparagine having (β-N-acetyl-D-glucosaminyl as the glycosyl component.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7385; CHEBI:691; CHEBI:12641; CHEBI:11206; CHEBI:18309; CHEBI:19031; CHEBI:21835

> <SYNONYM>
N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine; N4-(Acetyl-beta-D-glucosaminyl)asparagine; N-Acetylglucosaminylasparagine; beta-N-acetylglucosaminyl-L-asparagine; AADG; 2-acetamido-N(1)-L-beta-aspartyl-2-deoxy-beta-D-glucopyranosylamine; 2-acetamido-N-L-beta-aspartyl-2-deoxy-beta-D-glucopyranosylamine; 2-Acetamido-1-N-(4'-L-aspartyl)-2-deoxy-beta-D-glucopyranosylamine; 2-Acetamido-1-(beta-L-aspartamido)-1,2-dideoxy-beta-D-glucose; 1-beta-Aspartyl-N-acetyl-D-glucosaminylamine

> <IUPAC_NAME>
N(4)-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-L-asparagine

> <FORMULA>
C12H21N3O8

> <MASS>
335.31056

> <MONOISOTOPIC_MASS>
335.13286

> <CHARGE>
0

> <SMILES>
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(O)=O

> <INCHI>
InChI=1S/C12H21N3O8/c1-4(17)14-8-10(20)9(19)6(3-16)23-11(8)15-7(18)2-5(13)12(21)22/h5-6,8-11,16,19-20H,2-3,13H2,1H3,(H,14,17)(H,15,18)(H,21,22)/t5-,6+,8+,9+,10+,11+/m0/s1

> <INCHIKEY>
YTTRPBWEMMPYSW-HRRFRDKFSA-N

> <CAS_REGISTRY_NUMBER>
2776-93-4

> <CHEMIDPLUS>
2776-93-4

> <KEGG_COMPOUND_ACCESSION>
C04540

$$$$