bmse000247 D-Glucosamine at BMRB

D-Glucosamine

D-Glucosamine; D-Glucose, 2-amino-2-deoxy-; GLUCOSAMINE; beta-D-Glucosamine; 2-Amino-2-deoxyglucose; Chitosamine; 2-Amino-2-deoxy-D-glucose; Glucosamine [USAN:INN]; 2-Amino-2-deoxy-beta-D-glucopyranose; Glucosaminum [INN-Latin]; Glucosamina [INN-Spanish]

Molecular Formula: C6 H13 N O5
Natural Isotopic Abundance Mass: 179.1711200000
Mono-Isotopic Molecular Masses: C12N14: 179.079372533; C13N14: 185.09950156; C12N15: 180.076407426; C13N15: 186.096536453

D-Glucosamine

InCHi String:
InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1

isomeric SMILES:
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O
canonical SMILES:
C(C1C(C(C(C(O1)O)N)O)O)O

IUPAC: IUPAC systematic
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol

IUPAC traditional
(2R,3R,4R,5S,6R)-3-amino-6-methylol-tetrahydropyran-2,4,5-triol

IUPAC cas: IUPAC openeye
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol

PubChem Substance (SID):   111677736   10546   161872
PubChem Compound (CID):   18897   439213
KEGG: Compound ID   C00329
CAS Registry IDs:   3416-24-8   2351-15-7   58-87-7   58267-75-7
PDB Chemical Component   GCS
Miscellaneous Databases and IDs:   CHEBI 17315   EINECS 222-311-2   Beilstein Handbook Reference 4-04-00-02017

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.