BMRB

Biological Magnetic Resonance Data Bank


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

suberic acid

Graphical representations:

suberic acid image

Molecular Formula: C8 H14 O4

Natural Isotopic Abundance Mass: 174.19436

Mono-Isotopic Molecular Masses:

  • C12N14: 174.0892089378
  • C13N14: 182.1160476402
  • C12N15: 174.0892089378
  • C13N15: 182.1160476402

InCHi String: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)

canonical and isomeric SMILES: C(CCCC(=O)O)CCC(=O)O

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

PUBCHEM iupac TRADITIONAL NAME
suberic acid

PubChem Substance (SID):   85165172   689102   7853132
PubChem Compound (CID):   10457
KEGG: Compound ID   C08278
CAS Registry IDs:   68937-72-4   505-48-6
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich S5200_ALDRICH   ChemIDplus 068937724   ChemSpider 13886586   EINECS 273-084-1   CambridgeSoft Corporation 9142   EPA DSSTox 1644   LipidMAPS LMFA01170001   ChemDB 3969341   NIST Chemistry WebBook 2656833160   MMCD cq_04971   MDL MFCD00004428

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.