BMRB

Biological Magnetic Resonance Data Bank


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

Mono-methyl Glutarate

Graphical representations:

mono-methyl glutarate 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:

Canonical and Isomeric SMILES: COC(=O)CCCC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
5-methoxy-5-oxopentanoic acid

PUBCHEM iupac TRADITIONAL NAME
5-keto-5-methoxy-valeric acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
5-methoxy-5-oxo-pentanoic acid

PubChem Substance (SID):   24896939   10328915   399396
PubChem Compound (CID):   73917
KEGG: Compound ID   n/a
CAS Registry IDs:   1501-27-5
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich M47353_ALDRICH   ChemIDplus 001501275   EINECS 216-116-1   NIAID 017707   NCGC NCGC00097090-01   DTP/NCI 93807   NIST 2451393047   MMCD cq_10820   MDL MFCD00004409

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.