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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Gluconic Acid
Gluconic_acid synonyms
Gluconic acid (VAN); Gluconic acid, D-; Pentahydroxycaproic acid; 2,3,4,5,6-Pentahydroxyhexanoic acid; D-Gluconate; Maltonic acid; Glycogenic acid; Glosanto; D-gluco-Hexonic acid; GLUCONIC ACID; D-Gluconic acid
Graphical representations:
View large 3D structure
Molecular Formula: C6H12O7
Natural Isotopic Abundance Mass: 196.1552800000
Mono-Isotopic Molecular Masses:
- C12N14: 196.05830274
- C13N14: 202.078431767
- C12N15: 196.05830274
- C13N15: 202.078431767
InChI string: InChI=1/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1/f/h12H
IUPAC: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
PubChem Compound (CID): 10690KEGG Compound ID: C00257
CAS Registry number: 10101-21-0 10361-31-6 13005-35-1 14906-97-9 22830-45-1 299-27-4 35087-77-5 35984-19-1 3632-91-5 526-95-4 527-07-1 60007-93-4 60816-70-8 6485-39-8 82139-35-3
ChEBI: 4157
EINECS: 208-401-4
Beilstein Handbook Reference: 4-03-00-01255
HSDB: 487
NSC: 77381
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (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)