Consensus flow list

Sodium 5-oxopyrrolidine-2-carboxylate

fo-fb302794ca17d698

Identity

Type
Molecular complex
CAS
28874-51-3
EC
249-277-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium 5-oxopyrrolidine-2-carboxylate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

17

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XCNILYKGVJTUMZ-DFWYDOINSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H7NO3.Na/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);, InChI=1S/C5H7NO3.Na/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/t3-;/m0./s1
Isomeric SMILES string chemrof:isomeric_smiles_string C1CC(=O)N[C@@H]1C(=O)O.[Na]
Molecular formula chemrof:molecular_formula C5H7NNaO3
Molecular mass chemrof:molecular_mass 152.105
Monoisotopic mass chemrof:monoisotopic_mass 152.032362
SMILES string chemrof:smiles_string O=C1CCC(C(=O)O)N1.[Na]

Known URLs

3

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=28874-51-3 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=37675-88-0 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/67283933 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
1f50fe92-3af7-49df-9913-9ad7eb0b4970 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7382ca89-7a11-4044-bae4-2447f2a0f89b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1a90d3cb-8c03-41b5-83e6-8abbd9c0f669 Environmental → Air → Indoor EF 3.1 kg 4
20e25012-73b4-4f7b-a6a1-8daf7663145d Environmental → Air → Long-term EF 3.1 kg 0
87b1b574-1e2a-42dd-b73b-07b64ed9fb57 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
72d80a21-9e72-4e6e-98a4-d126a109ecd5 Environmental → Air → Unknown EF 3.1 kg 4
34a50e2b-aac6-4b6b-a176-e7474003f457 Environmental → Ground → Agricultural EF 3.1 kg 4
977d9245-dda4-47ab-81b4-cd43eec0f0e6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
7ff90d11-5775-403a-8136-3cc88a7f9431 Environmental → Ground → Unknown EF 3.1 kg 4
34a42b9d-7cb4-49d7-bdba-483e507519a3 Environmental → Water → Long-term EF 3.1 kg 0
7826ff46-edd8-4745-a627-777445fd3377 Environmental → Water → Ocean EF 3.1 kg 4
058790f8-ec8b-4582-9259-2122dc1d4676 Environmental → Water → Surface water EF 3.1 kg 4
44b5fe07-4eef-4de0-a284-8f6e46b82fbe Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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        "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": [
        "249-277-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=249-277-1"
      ],
      "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/MolecularComplex"
  ]
}

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