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-hydroxyoctanoic Acid

Graphical representations:

2-hydroxyoctanoic acid image

Molecular Formula: C8 H16 O3

Natural Isotopic Abundance Mass: 160.21084

Mono-Isotopic Molecular Masses:

  • C12N14: 160.1099443799
  • C13N14: 168.1367830823
  • C12N15: 160.1099443799
  • C13N15: 168.1367830823

InCHi String:

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

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-hydroxyoctanoic acid

PUBCHEM iupac TRADITIONAL NAME
2-hydroxycaprylic acid

PubChem Substance (SID):   85165352   7850119   24895793
PubChem Compound (CID):   94180
KEGG: Compound ID   n/a
CAS Registry IDs:   617-73-2
PDB Chemical Component   HOC
Miscellaneous Databases and IDs:   Sigma-Aldrich H7396_SIGMA   LipidMAPS LMFA01050020   ChemDB 6663575   DTP/NCI 189703   NIST 307408307   MMCD cq_10757   MDL MFCD00014410

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.