Consensus flow list

Identity

Type
ChemicalSalt
CAS
3012-65-5
EC
221-146-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Diammonium citrate

Alternative labels

20

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YXVFQADLFFNVDS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=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
IUPAC name chemrof:IUPAC_name Diammonium citrate
Molecular formula chemrof:molecular_formula C6H14N2O7, C6H6O7.2H4N
Molecular mass chemrof:molecular_mass 226.185
Monoisotopic mass chemrof:monoisotopic_mass 226.0801, 226.080101
SMILES string chemrof:smiles_string O=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[NH4+].[NH4+]

Known URLs

13

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=3012-65-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63076 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.225 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=62585 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18171 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/1135135 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17869536 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20339515 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2704685 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/679054 enrich_references.chebi_xrefs
reaxys reaxys:13697855 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q3678337 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3b7b10e3-1b64-444b-acf5-a9096c72976b Environmental → Air → Aircraft cruise height EF 3.1 kg 0
401bb098-39f6-466a-a32e-288c720cd15e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
21a64fb3-700f-466d-a3ef-9d2e0120b044 Environmental → Air → Indoor EF 3.1 kg 0
14bffd9c-4116-47a1-9b42-e9ccd5c8b93a Environmental → Air → Long-term EF 3.1 kg 0
ec9ac2e0-36b8-4576-a969-d2636f90b912 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
67503509-715d-4dd7-80c0-2dd63ffc8b40 Environmental → Air → Unknown EF 3.1 kg 0
48d3397f-c31a-402a-a981-3e693e98d47b Environmental → Ground → Agricultural EF 3.1 kg 0
ac552b29-3dfd-4931-8949-7a375dcb5cd5 Environmental → Ground → Non-agricultural EF 3.1 kg 0
01b6b99f-ad38-4573-ad35-7187a46acd87 Environmental → Ground → Unknown EF 3.1 kg 0
e614a39c-2ad8-4c0e-9a15-facd739b33df Environmental → Water → Long-term EF 3.1 kg 0
6126f42c-60f9-4f82-9331-562816acefd7 Environmental → Water → Ocean EF 3.1 kg 0
8712a356-ad2c-479e-a224-07d6794c5554 Environmental → Water → Surface water EF 3.1 kg 0
cb034050-c72d-447b-a252-51920a81c920 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-1759c87453138c43",
  "prefLabel": [
    {
      "@value": "Diammonium citrate",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroxy-1,2,3-propanetricarboxylic acid diammonium salt",
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    {
      "@value": "2-Hydroxy-1,2,3-propanetricarboxylic acid, diammonium salt",
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    },
    {
      "@value": "AmmCitrate",
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    },
    {
      "@value": "Ammonium citrate",
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      }
    },
    {
      "@value": "Ammonium citrate ((NH4)2O7C6H6)",
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      }
    },
    {
      "@value": "ammonium citrate dibasic",
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      }
    },
    {
      "@value": "Ammonium citrate, dibasic",
      "@language": "en",
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      }
    },
    {
      "@value": "ammonium hydrogen citrate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ammonium monohydrogen citrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    {
      "@value": "Ammonium monohydrogencitrate",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Citrate diammonium hydrogen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "citric acid diammonium salt",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Citric acid, diammonium salt",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "diammonium 3-carboxy-3-hydroxypentanedioate",
      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Diammonium Hydrogen 2-hydroxypropane-1,2,3-tricarboxylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "diammonium hydrogen citrate",
      "@language": "en",
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    },
    {
      "@value": "Dibasic ammonium citrate",
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    },
    {
      "@value": "Microstop",
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    },
    "https://w3id.org/chemrof/elemental_charge": {
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    "https://w3id.org/chemrof/IUPAC_name": {
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