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N-Acetyl-alpha-D-glucosamine 1-phosphate
N-Acetyl-alpha-D-glucosamine 1-phosphate synonyms
C04501; N-acetyl-glucosamine-1-phosphate; N-Acetyl-alpha-D-glucosamine 1-phosphate; N-ACETYL-D-GLUCOSAMINE-1-P; N-Acetyl-D-glucosamine 1-phosphate; N-acetyl-D-glucosamine 1-phosphate; N-acetyl-alpha-D-glucosamine 1-phosphate
Molecular Formula: C8 H16 N O9 P
Natural Isotopic Abundance Mass: 301.1877010000
Mono-Isotopic Molecular Masses:
- C12N14: 301.056267628
- C13N14: 309.08310633
- C12N15: 302.053302521
- C13N15: 309.08310633
InChI String: InChI=1/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/f/h9,14-15H
Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O
Canonical SMILES: CC(=O)NC1C(C(C(OC1OP(=O)(O)O)CO)O)O
IUPAC: IUPAC systematic
[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid
IUPAC traditional
(3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl)oxyphosphonic acid
IUPAC cas: IUPAC openeye
[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid
PubChem Compound (CID): 900 440364 440272
KEGG: Compound ID C04256
CAS Registry IDs: 31281-59-1
PDB Chemical Component n/a
Miscellaneous Databases and IDs: n/a
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773