Ketcher 01252116332D 1   1.00000     0.00000     0

 27 27  0     1  0            999 V2000
    2.4537    1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4537    0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3197   -0.3333    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
    1.5877   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217    0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1444   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103    0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764   -0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7424    0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7424    1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6085   -0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5877   -1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217   -1.8333    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3397   -0.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4744   -0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2065   -0.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3426   -2.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3426   -3.3321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2080   -1.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0739   -2.3308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4759   -1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0724   -0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9385   -0.8308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6099   -2.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7439   -3.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6099   -3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4760   -3.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  2  1  0     0  0
  4  2  1  0     0  0
  4 12  1  1     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  8  7  1  0     0  0
  6  7  1  0     0  0
  9  8  1  0     0  0
 10  9  2  0     0  0
 11  9  1  0     0  0
 12 13  1  0     0  0
 14 16  1  0     0  0
 14 15  1  0     0  0
 16 19  1  0     0  0
 19 17  1  0     0  0
 17 21  1  0     0  0
 21 15  1  0     0  0
 16 22  1  1     0  0
 17 18  1  1     0  0
 19 20  1  6     0  0
 21 24  1  6     0  0
 22 23  1  0     0  0
 24 26  1  0     0  0
 26 25  2  0     0  0
 26 27  1  0     0  0
 15 11  1  1     0  0
M  CHG  1  10   1
M  END
> <ID>
CHEBI:167322

> <NAME>
N(omega)-(N-acetyl-beta-D-glucosaminyl)-L-arginyl(1+) residue

> <STAR>
2

> <SYNONYM>
N(omega)-(N-acetyl-beta-D-glucosaminyl)-L-arginyl residue

> <FORMULA>
C14H26N5O6

> <MASS>
360.387

> <MONOISOTOPIC_MASS>
360.18831

> <CHARGE>
1

> <SMILES>
O=C(*)[C@@H](N*)CCCNC(=[NH2+])N[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(=O)C)O)O)CO

> <PUBMED_CITATION>
23955153; 24025841; 30979585

$$$$