Consensus flow list

Identity

Type
Neutral molecule
CAS
3923-79-3
EC
223-496-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4,5-dihydroxy-1,3-dimethylimidazolidin-2-one

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LGJMYGMNWHYGCB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H10N2O3/c1-6-3(8)4(9)7(2)5(6)10/h3-4,8-9H,1-2H3
IUPAC name chemrof:IUPAC_name 4,5-dihydroxy-1,3-dimethylimidazolidin-2-one
Molecular formula chemrof:molecular_formula C5H10N2O3
Molecular mass chemrof:molecular_mass 146.146
Monoisotopic mass chemrof:monoisotopic_mass 146.069142
SMILES string chemrof:smiles_string CN1C(=O)N(C)C(O)C1O

Known URLs

10

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=3923-79-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.021.361 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1044934 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=57547 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185858 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U22M33D6MV enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J217.764A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/73539 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=016806 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27290576 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2907d810-68a4-46b3-8acb-5a6e832e3aa7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
49a4f0f2-25db-4663-b61e-2ffae9d24a13 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0cabe3d5-5975-47e1-b704-dd72c1c2a933 Environmental → Air → Indoor EF 3.1 kg 2
2881358d-5db2-43a4-817a-319ce7a7a2e5 Environmental → Air → Long-term EF 3.1 kg 0
be77ceb2-b8e3-4a6b-91eb-f58e31f0f3b0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
739a5bf4-08d7-4f57-a364-83b36bbde663 Environmental → Air → Unknown EF 3.1 kg 2
998bfa2a-c073-4b2f-8031-ec8ea015bebb Environmental → Ground → Agricultural EF 3.1 kg 2
1035b3a4-846e-47d2-b7a5-b4057f43aea9 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a178e9a4-a06f-4db2-b73b-f47e4679a393 Environmental → Ground → Unknown EF 3.1 kg 2
dc32d5a5-1a3d-4954-b931-b88ec99493ee Environmental → Water → Long-term EF 3.1 kg 0
d925cb93-23ae-43fb-88dc-907e03dc379d Environmental → Water → Ocean EF 3.1 kg 2
996bb7be-a42f-44c6-8f98-37a43494a2ab Environmental → Water → Surface water EF 3.1 kg 2
9a813078-9d2f-4bfa-8118-5421891b2987 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-f034cde82681ad5a",
  "prefLabel": [
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  "altLabel": [
    {
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    {
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    "seed_uuid": "0cabe3d5-5975-47e1-b704-dd72c1c2a933",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "3923-79-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=3923-79-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=3923-79-3"
        }
      ],
      "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": [
        "223-496-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=223-496-2"
      ],
      "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/NeutralMolecule"
  ]
}

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