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CHEBI:72708 - cis-dihomoaconitic acid

Default Structure
ChEBI IDCHEBI:72708
ChEBI Namecis-dihomoaconitic acid
Stars
ASCII Namecis-dihomoaconitic acid
DefinitionA tricarboxylic acid that consists of pent-1-ene having three carboxy groups located at positions 1, 2 and 5 (the Z-geoisomer).
Last Modified8 March 2013
SubmitterAnne Morgat
DownloadsMolfile
FormulaC8H10O6
Net Charge0
Average Mass202.162
Monoisotopic Mass202.04774
SMILESO=C(O)/C=C(/CCCC(=O)O)C(=O)O
InChIInChI=1S/C8H10O6/c9-6(10)3-1-2-5(8(13)14)4-7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)(H,13,14)/b5-4-
InChIKeyWXZASCSXAMHFCX-PLNGDYQASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
cis-dihomoaconitic acid (CHEBI:72708) is a tricarboxylic acid (CHEBI:27093)
cis-dihomoaconitic acid (CHEBI:72708) is conjugate acid of cis-dihomoaconitate(3−) (CHEBI:72710)
Incoming Relation(s)
cis-dihomoaconitate(3−) (CHEBI:72710) is conjugate base of cis-dihomoaconitic acid (CHEBI:72708)
IUPAC Name 
(1Z)-pent-1-ene-1,2,5-tricarboxylic acid
Synonyms  Source
(Z)-1,2,5-pent-1-enetricarboxylic acidSUBMITTER
(Z)-dihomoaconitic acidChEBI
Manual XrefsDatabases
CPD-153MetaCyc
Registry NumbersSources
Reaxys:21144463Reaxys