BMRB

Biological Magnetic Resonance Data Bank


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

Decanoic Acid

Graphical representations:

decanoic acid image

Molecular Formula: C10 H20 O2

Natural Isotopic Abundance Mass: 172.2646

Mono-Isotopic Molecular Masses:

  • C12N14: 172.1463298862
  • C13N14: 182.1798782642
  • C12N15: 172.1463298862
  • C13N15: 182.1798782642

InCHi String: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)

canonical and isomeric SMILES: CCCCCCCCCC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
decanoic acid

PUBCHEM iupac TRADITIONAL NAME
capric acid

PubChem Substance (SID):   85165165   24892442   7889454
PubChem Compound (CID):   2969
KEGG: Compound ID   C01571
CAS Registry IDs:   334-48-5   15773-52-1   52627-73-3
PDB Chemical Component   CRC   DKA
Miscellaneous Databases and IDs:   Sigma-Aldrich C1875_SIGMA   ChemIDplus 052627733   ChemSpider 11212601   MMDB 34518.3   NMRShiftDB 10008813   DTP/NCI 122831   EPA DSSTox 1554   LipidMAPS LMFA01010010   SMID NON   ChemDB 3966259   NCGC NCGC00091320-02   NIST Chemistry WebBook 4256317528   MMCD cq_01025   MDL MFCD00004441

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.