Properties
Canonical smiles
CC(=O)NC1C(C(C(OC1O)CO)O)O
Chemical formula
C₈H₁₅NO₆
Isomeric smiles
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
Mass
221.0899372
Stereoisomer of
N-acetyl-α-D-glucosamine, N-acetyl-alpha-D-mannosamine, 2-(acetylamino)-2-deoxy-alpha-L-glucopyranose, 2-(acetylamino)-2-deoxy-alpha-L-idopyranose, α-N-acetyl-D-galactosamine, 2-(acetylamino)-2-deoxy-beta-D-gulopyranose, N-Acetylmannosamine, β-N-acetyl-D-galactosamine, 2-Acetamido-2-deoxy-beta-D-glucopyranosylamine
Identifiers (29)
Cab id
180462
Cas registry number
7512-17-6
Chebi id
28009
Chembl id
CHEMBL447878
Chemspider id
22563
Drugcentral id
4615
Dsstox compound identifier
DTXCID5032369
Dsstox substance id
DTXSID3045855, DTXSID301045979
Ec number
231-368-2
Echa substance infocard id
100.028.517
Freebase id
/m/086zfr, /m/02kc5dw
Gmelin number
721281
Human metabolome database id
HMDB0000803
Iedb epitope id
135813
Inchi
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
Inchikey
OVRNDRQMDRJTHS-FMDGEEDCSA-N
Kegg id
C03878
Microsoft academic id (discontinued)
2778815778
Nsc number
400525, 524344
Openalex id
C2778815778, C2909912800
Pdb ligand id
NAG
Pdb structure id
2FIK
Probes and drugs id
PD001620
Pubchem cid
24139
Reaxys registry number
1247660
Splash
splash10-001a-9700000000-ea1c503f19d4401abae9, splash10-053v-9000000000-e3255df1a993bd7f2b8d
Surechembl id
19345
Unichem compound id
454839
Unii
8P59336F68