BMRB

Biological Magnetic Resonance Data Bank


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

Dodecanoic acid

Graphical representations:

Dodecanoic acid image

Molecular Formula: C12 H24 O2

Natural Isotopic Abundance Mass: 200.31776

Mono-Isotopic Molecular Masses:

  • C12N14: 200.1776300146
  • C13N14: 212.2178880682
  • C12N15: 200.1776300146
  • C13N15: 212.2178880682

InCHi String: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)

canonical and isomeric SMILES: CCCCCCCCCCCC(=O)O

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

PUBCHEM iupac TRADITIONAL NAME
lauric acid

PubChem Substance (SID):   85165290   24896365   71199
PubChem Compound (CID):   3893
KEGG: Compound ID   C02679
CAS Registry IDs:   14622-13-0   4696-56-4   7632-48-6   629-25-4   15337-60-7   4040-48-6   10124-65-9   143-07-7   8045-27-0   8000-62-2   203714-07-2   2437-23-2
PDB Chemical Component   DAO   LAU
Miscellaneous Databases and IDs:   Sigma-Aldrich W261416_ALDRICH   ChEBI CHEBI:30805   ChemBank NCIOpen2_009480   HSDB 6814   ChemIDplus 000143077   ChemSpider 11212603   MMDB 59468.3   EINECS 205-582-1   CCRIS 669   NMRShiftDB 10008731   NIAID 049202   DTP/NCI 5026   CambridgeSoft Corporation 5637   EPA DSSTox 33602   LipidMAPS LMFA01010012   SMID LAU   DrugBank DB03017   Beilstein Handbook Reference 4-02-00-01082   NCGC NCGC00090919-01   NIST Chemistry WebBook 2756786499   MMCD cq_01637   MDL MFCD00002736

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.