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CHEBI:176974 - dainate A(1−)

ChEBI IDCHEBI:176974
ChEBI Namedainate A(1−)
Stars
ASCII Namedainate A(1-)
DefinitionA dicarboxylic acid anion that is conjugate base of dainic acid A, arising from the deprotonation of the carboxy groups and protonation of the pyrrolidine nitrogen. Major species at pH 7.3.
Last Modified3 August 2021
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC15H22NO4
Net Charge-1
Average Mass280.344
Monoisotopic Mass280.15543
SMILESCC(C)=CC/C=C(/C)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-]
InChIInChI=1S/C15H23NO4/c1-9(2)5-4-6-10(3)12-8-16-14(15(19)20)11(12)7-13(17)18/h5-6,11-12,14,16H,4,7-8H2,1-3H3,(H,17,18)(H,19,20)/p-1/b10-6-/t11-,12+,14-/m0/s1
InChIKeyGSLRBTJVJMDETK-LCZAJGKFSA-M
ChEBI Ontology
Outgoing Relation(s)
dainate A(1−) (CHEBI:176974) is a dicarboxylic acid anion (CHEBI:35693)
dainate A(1−) (CHEBI:176974) is conjugate base of dainic acid A (CHEBI:177025)
Incoming Relation(s)
dainic acid A (CHEBI:177025) is conjugate acid of dainate A(1−) (CHEBI:176974)
IUPAC Name 
(2S,3S,4S)-3-(carboxylatomethyl)-4-[(2Z)-6-methylhepta-2,5-dien-2-yl]pyrrolidinium-2-carboxylate
Synonyms  Source
dainic acid A anionChEBI
7'-methylisodomoic acid A anionChEBI
UniProt Name  Source
dainate AUniProt
Manual XrefsDatabases
CPD-22490MetaCyc
Citations