Consensus flow list

Identity

Type
Chemical salt
CAS
24382-04-5
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Malonaldehyde, Sodium Salt

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VJHFGYJILVGPCS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H3O2.Na/c4-2-1-3-5;/h1-3H;/q-1;+1
IUPAC name chemrof:IUPAC_name sodium malonaldehyde, sodium propanedial
Molecular formula chemrof:molecular_formula C3H3NaO2
Molecular mass chemrof:molecular_mass 94.045
Monoisotopic mass chemrof:monoisotopic_mass 94.003074
SMILES string chemrof:smiles_string [CH-](C=O)C=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=24382-04-5 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60924091 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZRM642YYUE enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.587.814B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23712862 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27295862 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
38450254-aac3-4bcc-8a41-218db417fc3f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c5f33080-5b7a-4d13-8fef-a287187ff716 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
854e3aab-b957-4b9a-9c2d-782c6bc9fc88 Environmental → Air → Indoor EF 3.1 kg 2
bf2d7735-376b-4d60-9acb-3a5130960059 Environmental → Air → Long-term EF 3.1 kg 0
eeceaebe-786d-41a4-b5e8-d2e732f4a94c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c028a490-85a4-4f80-8df4-4cd58f996471 Environmental → Air → Unknown EF 3.1 kg 2
56101c45-ef7a-4707-bd56-2730c02e16c7 Environmental → Ground → Agricultural EF 3.1 kg 2
606d4046-f53d-4b92-a2d2-54c3bc40da6e Environmental → Ground → Non-agricultural EF 3.1 kg 2
66fcf3f4-ac95-48ec-b51a-b5cfa3a9e5b3 Environmental → Ground → Unknown EF 3.1 kg 2
772fcb8e-2a39-40cb-9c8e-4c2af25fcfbe Environmental → Water → Long-term EF 3.1 kg 0
84e4533b-390b-4828-bcd7-d8281a908999 Environmental → Water → Ocean EF 3.1 kg 2
3cccbffb-ccdd-489f-919c-abaa65860bde Environmental → Water → Surface water EF 3.1 kg 2
2f415873-aae9-4f91-8817-707e942c1b30 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a5719248623bcdab",
  "prefLabel": [
    {
      "@value": "Malonaldehyde, Sodium Salt",
      "@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": "(E)-3-Hydroxyacrolein sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24382-04-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenal, 3-hydroxy-, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24382-04-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenal, 3-hydroxy-, sodium salt, (2E)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24382-04-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenal, 3-hydroxy-, sodium salt, (E)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24382-04-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Malonaldehyde sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24382-04-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Malonaldehyde, ion(1-), sodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24382-04-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Malonaldehyde, sodium deriv.",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24382-04-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanedial sodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24382-04-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanedial, ion(1-), sodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24382-04-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium malondialdehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24382-04-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium β-oxyacrolein",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:24382-04-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C3H3NaO2"
      ],
      "attested_by": {
        "C3H3NaO2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:23712862"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH-](C=O)C=O.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "VJHFGYJILVGPCS-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "VJHFGYJILVGPCS-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:23712862"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH-](C=O)C=O.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "[CH-](C=O)C=O.[Na+]"
      ],
      "attested_by": {
        "[CH-](C=O)C=O.[Na+]": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:23712862"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH-](C=O)C=O.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C3H3O2.Na/c4-2-1-3-5;/h1-3H;/q-1;+1"
      ],
      "attested_by": {
        "InChI=1S/C3H3O2.Na/c4-2-1-3-5;/h1-3H;/q-1;+1": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:23712862"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH-](C=O)C=O.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "sodium malonaldehyde",
        "sodium propanedial"
      ],
      "attested_by": {
        "sodium malonaldehyde": [
          "enrich_references.pubchem_semantic"
        ],
        "sodium propanedial": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23712862"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        94.045
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH-](C=O)C=O.[Na+]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH-](C=O)C=O.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "94.045": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        94.003074
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH-](C=O)C=O.[Na+]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH-](C=O)C=O.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "94.003074": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.587.814B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23712862;CAS:24382-04-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24382-04-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=24382-04-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23712862;CAS:24382-04-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24382-04-5]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID60924091",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23712862;CAS:24382-04-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24382-04-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZRM642YYUE",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23712862;CAS:24382-04-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24382-04-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23712862",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23712862;CAS:24382-04-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[24382-04-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27295862",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23712862;CAS:24382-04-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[24382-04-5]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "2f415873-aae9-4f91-8817-707e942c1b30",
    "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": [
        "24382-04-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_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.