EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:131934 - (−)-DCA-CC(2−)

Default Structure
ChEBI IDCHEBI:131934
ChEBI Name(−)-DCA-CC(2−)
Stars
ASCII Name(-)-DCA-CC(2-)
DefinitionA dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (−)-DCA-CC; major species at pH 7.3.
Last Modified20 June 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H16O8
Net Charge-2
Average Mass384.340
Monoisotopic Mass384.08561
SMILESCOc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)[O-])cc3[C@H]2C(=O)[O-])ccc1O
InChIInChI=1S/C20H18O8/c1-26-14-9-11(4-5-13(14)21)18-17(20(24)25)12-7-10(3-6-16(22)23)8-15(27-2)19(12)28-18/h3-9,17-18,21H,1-2H3,(H,22,23)(H,24,25)/p-2/b6-3+/t17-,18+/m1/s1
InChIKeyJTHPLBUVRLOJBB-VCPQXCNPSA-L
ChEBI Ontology
Outgoing Relation(s)
(−)-DCA-CC(2−) (CHEBI:131934) is a dicarboxylic acid dianion (CHEBI:28965)
(−)-DCA-CC(2−) (CHEBI:131934) is conjugate base of (−)-DCA-CC (CHEBI:132249)
(−)-DCA-CC(2−) (CHEBI:131934) is enantiomer of (+)-DCA-CC(2−) (CHEBI:131935)
Incoming Relation(s)
(−)-DCA-CC (CHEBI:132249) is conjugate acid of (−)-DCA-CC(2−) (CHEBI:131934)
(+)-DCA-CC(2−) (CHEBI:131935) is enantiomer of (−)-DCA-CC(2−) (CHEBI:131934)
IUPAC Name 
(2R,3R)-5-[(E)-2-carboxylatoethenyl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylate
Synonym  Source
(−)-dehydrodiconiferyl acid carboxylate(2−)ChEBI
UniProt Name  Source
(−)-dehydrodiconiferyl acid carboxylateUniProt
Manual XrefsDatabases
CPD-17079MetaCyc
Citations