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CHEBI:63076 - diammonium citrate

ChEBI IDCHEBI:63076
ChEBI Namediammonium citrate
Stars
DefinitionA citrate salt in which two of the three carboxy groups are deprotonated and associated with ammonium ions as counter-cations.
Last Modified25 September 2020
SubmitterVincent Fazio
DownloadsMolfile
FormulaC6H6O7.2H4N
Net Charge0
Average Mass226.185
Monoisotopic Mass226.08010
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[NH4+].[NH4+]
InChIInChI=1S/C6H8O7.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3
InChIKeyYXVFQADLFFNVDS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
buffer  Any substance or mixture of substances that, in solution (typically aqueous), resists change in pH upon addition of small amounts of acid or base.
ChEBI Ontology
Outgoing Relation(s)
diammonium citrate (CHEBI:63076) has role buffer (CHEBI:35225)
diammonium citrate (CHEBI:63076) is a ammonium salt (CHEBI:47704)
diammonium citrate (CHEBI:63076) is a citrate salt (CHEBI:50744)
IUPAC Name 
diammonium 3-carboxy-3-hydroxypentanedioate
Synonyms  Source
diammonium hydrogen citrateSUBMITTER
citric acid diammonium saltSUBMITTER
ammonium hydrogen citrateSUBMITTER
ammonium citrate dibasicChEBI
Ammonium citrate, dibasicChemIDplus
2-Hydroxy-1,2,3-propanetricarboxylic acid, diammonium saltChemIDplus
Brand Name  Source
MicrostopChemIDplus
Registry NumbersSources
Beilstein:4925760Beilstein
Reaxys:13697855Reaxys
CAS:3012-65-5ChemIDplus
Citations