Consensus flow list

Identity

Type
Neutral molecule
CAS
127-06-0
EC
204-820-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Acetone Oxime

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PXAJQJMDEXJWFB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3
IUPAC name chemrof:IUPAC_name Acetone Oxime
Molecular formula chemrof:molecular_formula C3H7NO
Molecular mass chemrof:molecular_mass 73.095
Monoisotopic mass chemrof:monoisotopic_mass 73.05276, 73.052764
SMILES string chemrof:smiles_string CC(C)=NO

Known URLs

14

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=127-06-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15349 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.383 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6020010 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7601 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QX74TFD64T enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0247913 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.515A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C01995 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C01995 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=50042 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/67180 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q16744025 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Acetone_oxime enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
25d0d6c6-1003-491b-b9a0-3ea56b49de58 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
45aeaf88-162d-49f3-bb4a-a66dfcf2eed5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
509ea54a-af7b-4b57-a73c-a54b62c7a76f Environmental → Air → Indoor EF 3.1 kg 6
1636a8f4-dafb-4cfd-ab46-fdeb3bfb9094 Environmental → Air → Long-term EF 3.1 kg 0
0a5aeefc-ff81-45ae-bd5c-a08c0f7dfd9e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
8decb177-82dd-4523-9bb5-602b47b9ac07 Environmental → Air → Unknown EF 3.1 kg 6
2f1b0323-044b-4082-89e2-23a1123f202d Environmental → Ground → Agricultural EF 3.1 kg 6
34b7a51f-c162-489e-9122-aa4039475947 Environmental → Ground → Non-agricultural EF 3.1 kg 6
d151001b-bac7-465f-96cb-9d1c8a5956a0 Environmental → Ground → Unknown EF 3.1 kg 6
30819c2a-5a5f-43aa-a660-43206e845682 Environmental → Water → Long-term EF 3.1 kg 0
d86e301b-33c6-401c-ae70-44c9df9dc3bd Environmental → Water → Ocean EF 3.1 kg 6
4660e645-bb8c-4756-88c8-22cd7754a7ca Environmental → Water → Surface water EF 3.1 kg 6
20dacac9-a535-4f7f-91a9-1ff130ec38d9 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [
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    {
      "@value": "β-Isonitrosopropane",
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        "prov:wasDerivedFrom": "pubchem.identifiers[127-06-0]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0a5aeefc-ff81-45ae-bd5c-a08c0f7dfd9e",
    "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": [
        "127-06-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=127-06-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=127-06-0"
        }
      ],
      "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": [
        "204-820-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=204-820-1"
      ],
      "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/NeutralMolecule"
  ]
}

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