Consensus flow list

Identity

Type
Chemical salt
CAS
18996-35-5
EC
242-734-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Dihydrogen Sodium Citrate

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HWPKGOGLCKPRLZ-UHFFFAOYSA-M, OQUFOZNPBIIJTN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8O7.Na/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);/q;+1/p-1
IUPAC name chemrof:IUPAC_name 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monosodium salt
Molecular formula chemrof:molecular_formula C6H7NaO7, C6H8NaO7
SMILES string chemrof:smiles_string O=C([O-])CC(O)(CC(=O)O)C(=O)O.[Na+]

Known URLs

6

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=144-33-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=18996-35-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=68-04-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=994-36-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.380 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6335613 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
46bfa88e-7018-4c19-95b5-2819602c2ea5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5712dd87-0ea5-4791-b6d4-b28540ca4aa0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5b8ba0ff-4c27-4e7c-b162-90f6e451f733 Environmental → Air → Indoor EF 3.1 kg 2
fd493e2d-d575-4e18-a8a5-6db52785308b Environmental → Air → Long-term EF 3.1 kg 0
2c0223e3-9e69-4901-89a0-79d4aad26726 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
54722e02-8914-4a09-b5b9-98113e872b5b Environmental → Air → Unknown EF 3.1 kg 2
733d05a3-8750-4517-b518-50e73aeebe29 Environmental → Ground → Agricultural EF 3.1 kg 2
57f9f2de-d1df-48b0-be48-40c84be957e1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ce6c5161-7c6e-45b4-8e14-ca02a8286d77 Environmental → Ground → Unknown EF 3.1 kg 2
ebbdf7b5-0814-4254-a5cc-e15b98f00bdd Environmental → Water → Long-term EF 3.1 kg 0
5f9faf79-43b6-4f54-b7e9-63e1a565cd26 Environmental → Water → Ocean EF 3.1 kg 2
52b0ea96-96e6-41d6-b95b-2d501ec569ed Environmental → Water → Surface water EF 3.1 kg 2
25326783-fd57-48a4-997a-feef91551b6e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c070c8b643cd1d7f",
  "prefLabel": [
    {
      "@value": "Dihydrogen Sodium Citrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18996-35-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18996-35-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18996-35-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18996-35-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Citric acid, monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18996-35-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18996-35-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Citrofluyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18996-35-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18996-35-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Monosodium citrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18996-35-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18996-35-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Monosodium dihydrogen citrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18996-35-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18996-35-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium citrate (NaC6H7O7)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18996-35-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18996-35-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium dihydrogen citrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18996-35-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18996-35-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H7NaO7",
        "C6H8NaO7"
      ],
      "attested_by": {
        "C6H8NaO7": [
          "enrich_references.pubchem_semantic"
        ],
        "C6H7NaO7": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:6335613"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C([O-])CC(O)(CC(=O)O)C(=O)O.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "HWPKGOGLCKPRLZ-UHFFFAOYSA-M",
        "OQUFOZNPBIIJTN-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "OQUFOZNPBIIJTN-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "HWPKGOGLCKPRLZ-UHFFFAOYSA-M": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:6335613"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C([O-])CC(O)(CC(=O)O)C(=O)O.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=C([O-])CC(O)(CC(=O)O)C(=O)O.[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monosodium salt"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C([O-])CC(O)(CC(=O)O)C(=O)O.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "O=C([O-])CC(O)(CC(=O)O)C(=O)O.[Na+]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C6H8O7.Na/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);/q;+1/p-1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monosodium salt"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C([O-])CC(O)(CC(=O)O)C(=O)O.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C6H8O7.Na/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);/q;+1/p-1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monosodium salt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monosodium salt"
        ]
      },
      "attested_by": {
        "1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monosodium salt": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.012.380",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6335613;CAS:18996-35-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18996-35-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=144-33-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6335613;CAS:18996-35-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18996-35-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=18996-35-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6335613;CAS:18996-35-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18996-35-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=68-04-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6335613;CAS:18996-35-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18996-35-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=994-36-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6335613;CAS:18996-35-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18996-35-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6335613",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6335613;CAS:18996-35-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[18996-35-5]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "25326783-fd57-48a4-997a-feef91551b6e",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/ChemicalSalt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "18996-35-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=18996-35-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=18996-35-5"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "242-734-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=242-734-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.