BMRB

Biological Magnetic Resonance Data Bank


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

trans-trans-Muconic acid

Graphical representations:

trans-trans-Muconic acid image

Molecular Formula: C6 H6 O4

Natural Isotopic Abundance Mass: 142.10944

Mono-Isotopic Molecular Masses:

  • C12N14: 142.026608681
  • C13N14: 148.0467377078
  • C12N15: 142.026608681
  • C13N15: 148.0467377078

InCHi String: InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+

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

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

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(2E,4E)-hexa-2,4-dienedioic acid

PubChem Substance (SID):   85165250   24775689   675243
PubChem Compound (CID):   5356793
KEGG: Compound ID   n/a
CAS Registry IDs:   3588-17-8   505-70-4
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChEBI CHEBI:38407   ChemIDplus 003588178   ChemSpider 4512358   EINECS 208-017-7   CCRIS 1452   NIST Chemistry WebBook 2588372292

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.