BMRB

Biological Magnetic Resonance Data Bank


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

3-methylglutaric Acid

Graphical representations:

3-methylglutaric acid image

Molecular Formula: C6 H10 O4

Natural Isotopic Abundance Mass: 146.1412

Mono-Isotopic Molecular Masses:

  • C12N14: 146.0579088094
  • C13N14: 152.0780378362
  • C12N15: 146.0579088094
  • C13N15: 152.0780378362

InCHi String: InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)

canonical and isomeric SMILES: CC(CC(=O)O)CC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
3-methylpentanedioic acid

PUBCHEM iupac TRADITIONAL NAME
3-methylglutaric acid

PubChem Substance (SID):   85165354   5100138   24885062
PubChem Compound (CID):   12284
KEGG: Compound ID   n/a
CAS Registry IDs:   626-51-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 66990_FLUKA   ChemIDplus 000626517   EINECS 210-951-5   ChemDB 4736539   DTP/NCI 14870   NIST 4141894834   MMCD cq_10777   MDL MFCD00002727

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.