BMRB

Biological Magnetic Resonance Data Bank


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

2-hydroxyhexanoic acid

Graphical representations:

2-hydroxyhexanoic acid image

Molecular Formula: C6 H12 O3

Natural Isotopic Abundance Mass: 132.15768

Mono-Isotopic Molecular Masses:

  • C12N14: 132.0786442515
  • C13N14: 138.0987732783
  • C12N15: 132.0786442515
  • C13N15: 138.0987732783

InCHi String: InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)

canonical and isomeric SMILES: CCCCC(C(=O)O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-hydroxyhexanoic acid

PubChem Substance (SID):   85165351   44430000   677184
PubChem Compound (CID):   99824
KEGG: Compound ID   n/a
CAS Registry IDs:   6064-63-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 219800_ALDRICH   LipidMAPS LMFA01050011   ChemIDplus 006064637   ChemSpider 90191   EINECS 227-991-4   ChemDB 6682387   DTP/NCI 227903   MMCD cq_10924   MDL MFCD00004584

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.