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Tricalcium Citrate

UUID 97cd3443-9c16-4ede-9bef-f4be8a553072
Flow Object IDfo-c7916b530ae16383
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 813-94-5
EC Numbers 212-391-7
prefLabel
Language Value Provenance
en Tricalcium Citrate
altLabel ⓘ
Language Value Provenance
en 2-hydroxy-1,2,3-propanetricarboxylic acid calcium salt (2:3)
en Acicontral
en Calcitrate
en calcium 2-hydroxy-1,2,3-propanetricarboxylate (3:2)
en calcium 2-hydroxypropane-1,2,3-tricarboxylate (3/2)
en calcium 2-hydroxypropane-1,2,3-tricarboxylate (3:2)
en calcium citrate tribasic
en calcium citrate, tribasic
en citric acid calcium salt (2:3)
en tribasic calcium citrate
en tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
en tricalcium bis(citric acid)
en 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt (2:3)
en Calcium citrate (Ca<sub>3</sub>(O<sub>7</sub>C<sub>6</sub>H<sub>5</sub>)<sub>2</sub>)
en Citracal
en Citric acid, calcium salt (2:3)
en Citrical
en Tricalcium Dicitrate
Definitions
Language Value Provenance
en An organic calcium salt composed of calcium cations and citrate anions in a 3:2 ratio.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey FNAQSUUGMSOBHW-UHFFFAOYSA-H
InChI InChI=1S/2C6H8O7.3Ca/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6
IUPAC name tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylate), tricalcium bis(2-oxidanylpropane-1,2,3-tricarboxylate), tricalcium dicitrate
Molecular formula 2C6H5O7.3Ca, C12H10Ca3O14
Molecular mass 498.432
Monoisotopic mass 497.89483
SMILES C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ca+2].[Ca+2].[Ca+2], O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Ca+2].[Ca+2].[Ca+2]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 97cd3443-9c16-4ede-9bef-f4be8a553072 tricalcium dicitrate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 tricalcium dicitrate Emissions/Emissions to soil/Emissions to soil, unspecified kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=tricalciumdicitrate||dimension=Environmental > media=Ground > geography=Agricultural; cas=813-94-5; added Common Chemistry CAS names as altLabel: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt (2:3), Calcium citrate (Ca<sub>3</sub>(O<sub>7</sub>C<sub>6</sub>H<sub>5</sub>)<sub>2</sub>), Citracal, Citric acid, calcium salt (2:3), Citrical; object_uuid=fo-c7916b530ae16383
cas_match_labels 1 — consensus_match group_key=tricalciumdicitrate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'813-94-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c7916b530ae16383: {'813-94-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '2-hydroxy-1,2,3-propanetricarboxylic acid calcium salt (2:3)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-hydroxy-1,2,3-propanetricarboxylic acid calcium salt (2:3)', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Acicontral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Acicontral', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Calcitrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Calcitrate', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'calcium 2-hydroxy-1,2,3-propanetricarboxylate (3:2)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:calcium 2-hydroxy-1,2,3-propanetricarboxylate (3:2)', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'calcium 2-hydroxypropane-1,2,3-tricarboxylate (3/2)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:calcium 2-hydroxypropane-1,2,3-tricarboxylate (3/2)', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'calcium 2-hydroxypropane-1,2,3-tricarboxylate (3:2)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:calcium 2-hydroxypropane-1,2,3-tricarboxylate (3:2)', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'calcium citrate tribasic', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:calcium citrate tribasic', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'calcium citrate, tribasic', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:calcium citrate, tribasic', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'citric acid calcium salt (2:3)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:citric acid calcium salt (2:3)', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tribasic calcium citrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tribasic calcium citrate', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylic acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylic acid)', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tricalcium bis(citric acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tricalcium bis(citric acid)', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tricalcium citrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tricalcium citrate', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-hydroxy-1,2,3-propanetricarboxylic acid calcium salt (2:3)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-hydroxy-1,2,3-propanetricarboxylic acid calcium salt (2:3)', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Acicontral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Acicontral', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Calcitrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Calcitrate', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'calcium 2-hydroxy-1,2,3-propanetricarboxylate (3:2)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:calcium 2-hydroxy-1,2,3-propanetricarboxylate (3:2)', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'calcium 2-hydroxypropane-1,2,3-tricarboxylate (3/2)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:calcium 2-hydroxypropane-1,2,3-tricarboxylate (3/2)', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'calcium 2-hydroxypropane-1,2,3-tricarboxylate (3:2)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:calcium 2-hydroxypropane-1,2,3-tricarboxylate (3:2)', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'calcium citrate tribasic', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:calcium citrate tribasic', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'calcium citrate, tribasic', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:calcium citrate, tribasic', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'citric acid calcium salt (2:3)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:citric acid calcium salt (2:3)', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tribasic calcium citrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tribasic calcium citrate', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylic acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylic acid)', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tricalcium bis(citric acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tricalcium bis(citric acid)', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tricalcium citrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tricalcium citrate', 'http://purl.obolibrary.org/obo/CHEBI_190513', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt (2:3)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:813-94-5', 'https://commonchemistry.cas.org/detail?cas_rn=813-94-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Calcium citrate (Ca<sub>3</sub>(O<sub>7</sub>C<sub>6</sub>H<sub>5</sub>)<sub>2</sub>)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:813-94-5', 'https://commonchemistry.cas.org/detail?cas_rn=813-94-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Citracal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:813-94-5', 'https://commonchemistry.cas.org/detail?cas_rn=813-94-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Citric acid, calcium salt (2:3)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:813-94-5', 'https://commonchemistry.cas.org/detail?cas_rn=813-94-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Citrical', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:813-94-5', 'https://commonchemistry.cas.org/detail?cas_rn=813-94-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=tricalciumdicitrate||dimension=Environmental > media=Ground > geography=Agricultural; cas=813-94-5; added Common Chemistry CAS names as altLabel: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt (2:3), Calcium citrate (Ca<sub>3</sub>(O<sub>7</sub>C<sub>6</sub>H<sub>5</sub>)<sub>2</sub>), Citracal, Citric acid, calcium salt (2:3), Citrical; object_uuid=fo-c7916b530ae16383
cas_match_labels None {'813-94-5': 'exactMatch'} group_key=tricalciumdicitrate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'813-94-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c7916b530ae16383: {'813-94-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
  "cas_numbers": [
    "813-94-5"
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  "ec_numbers": [
    "212-391-7"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 5.4786
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 5.4786
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  "source": "EF 3.1",
  "identifier": "97cd3443-9c16-4ede-9bef-f4be8a553072",
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        "original_context": [
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          "Emissions to soil, unspecified"
        ]
      }
    }
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  "prefLabel": [
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