BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

(R)-2-hydroxybutyric Acid

(R)-2-hydroxybutyric Acid bmse000361 - Data

(R)-2-hydroxybutyric Acid synonyms

(R)-2-Hydroxybutyric acid

Wikipedia:

Graphical representations:

(R)-2-hydroxybutyric acid image

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 Substance (SID):   85165157   36890890   10300335
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.