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

Trans-trans-Muconic Acid bmse000463 - Data

Trans-trans-Muconic synonyms

Muconic acid (trans); 2,4-Hexadienedioic acid, (E,E)-; trans,trans-2,4-hexadienedioic acid; trans,trans-Buta-1,3-diene-1,4-dicarboxylic acid; (E,E)-2,4-hexadienedioic acid; muconic acid; trans, trans-Muconic acid; 1,3-Butadiene-1,4-dicarboxylic acid; trans,trans-1,3-butadiene-1,4-dicarboxylic acid; (E,E)-muconic acid; (2E,4E)-2,4-hexadienedioic acid

Wikipedia:

Graphical representations:

trans-trans-Muconic

View large 3D structure

Molecular Formula: C6H6O4

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+

PubChem Compound (CID): 5356793
CAS Registry number: 3588-17-8 505-70-4
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.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)