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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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(R)-2-hydroxybutyric Acid
(R)-2-hydroxybutyric Acid synonyms
Molecular Formula: C4 H8 O3
Natural Isotopic Abundance Mass: 104.10452
Mono-Isotopic Molecular Masses:
- C12N14: 104.0473441231
- C13N14: 108.0607634743
- C12N15: 104.0473441231
- C13N15: 108.0607634743
InChI String: InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
canonical SMILES: CCC(C(=O)O)O
isomeric SMILES: CC[C@H](C(=O)O)O
PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(2R)-2-hydroxybutanoic acid
PUBCHEM iupac TRADITIONAL NAME
(2R)-2-hydroxybutyric acid
PubChem Compound (CID): 449265
KEGG: Compound ID n/a
CAS Registry IDs: n/a
PDB Chemical Component n/a
Miscellaneous Databases and IDs: Sigma-Aldrich 54917_FLUKA ChemSpider 395841 DiscoveryGate 449265 MMCD cq_03366 MDL MFCD01318570
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