BMRB

Biological Magnetic Resonance Data Bank


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

Glutaconic Acid

Graphical representations:

Glutaconic acid image

Molecular Formula: C5 H6 O4

Natural Isotopic Abundance Mass: 130.09874

Mono-Isotopic Molecular Masses:

  • C12N14: 130.026608681
  • C13N14: 135.04338287
  • C12N15: 130.026608681
  • C13N15: 135.04338287

InCHi String: InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+

canonical SMILES: C(C=CC(=O)O)C(=O)O

isomeric SMILES: C(\C=C\C(=O)O)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(E)-pent-2-enedioic acid

PubChem Substance (SID):   85165224   39289604   24872846
PubChem Compound (CID):   5280498
KEGG: Compound ID   C02214
CAS Registry IDs:   1724-02-3   628-48-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 49360_FLUKA   ChEBI CHEBI:15670   ChemIDplus 001724023   ChemSpider 4444138   EINECS 217-027-0   NIST 330752518

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.