bmse000705 cis-aconitic acid at BMRB

InCHi String:
InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-

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

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(Z)-prop-1-ene-1,2,3-tricarboxylic acid

PUBCHEM iupac CAS NAME
(Z)-1-propene-1,2,3-tricarboxylic acid

PubChem Substance (SID):   111677841   10324664   3707
PubChem Compound (CID):   643757
KEGG: Compound ID   C00417
CAS Registry IDs:   585-84-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich A3412_SIGMA   ChEBI CHEBI:32805   Emory University Molecular Libraries Screening Center NCI7616   NIST Chemistry WebBook 1360014820   NIST 1360014820   CAS 585-84-2   MDL MFCD00063184

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.