Consensus flow list

Identity

Type
NeutralMolecule
CAS
593-08-8
EC
209-784-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tridecan-2-one

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CYIFVRUOHKNECG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3
IUPAC name chemrof:IUPAC_name Tridecan-2-one
Molecular formula chemrof:molecular_formula C13H26O
Molecular mass chemrof:molecular_mass 198.35
Monoisotopic mass chemrof:monoisotopic_mass 198.198365, 198.19837
SMILES string chemrof:smiles_string CCCCCCCCCCCC(C)=O

Known URLs

19

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
bpdb bpdb:2981 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=593-08-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77928 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.896 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4022070 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=14763 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL480097 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/2-tridecanone enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5Q35VHX26K enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0034148 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J94.924H enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA12000058 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5464 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-7901 enrich_references.chebi_xrefs
patent patent:WO2012018250 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11622 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/23374049 enrich_references.chebi_xrefs
reaxys reaxys:1757402 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27147536 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5bd6c83c-156f-4bfa-b53b-68e71f208cff Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6ef6ea25-4b6d-4968-a4c5-ab2c8c0074e3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e094e13c-8cec-4e2f-a91b-e668f9a9f3b4 Environmental → Air → Indoor EF 3.1 kg 2
07bc460c-20e9-44cb-abb6-24f1c77d8eb1 Environmental → Air → Long-term EF 3.1 kg 0
bce75375-e182-4f76-9c1c-7d909227aabe Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a4c2f0ae-deec-4a66-a941-1c9111d249ba Environmental → Air → Unknown EF 3.1 kg 2
00fec42f-ebaa-4bfc-85d2-e381c1adaf04 Environmental → Ground → Agricultural EF 3.1 kg 2
2001de89-7df0-4943-9c5e-e410b8384390 Environmental → Ground → Non-agricultural EF 3.1 kg 2
da93b489-0618-4e03-b2df-a2b6e81dacd6 Environmental → Ground → Unknown EF 3.1 kg 2
b9026f54-0e06-4d80-a837-4a92a4f69bc2 Environmental → Water → Long-term EF 3.1 kg 0
e64eebc8-7e7c-41e3-9f47-1ba7fe8206e5 Environmental → Water → Ocean EF 3.1 kg 2
3e3d5409-12be-47d0-b5df-82c131172699 Environmental → Water → Surface water EF 3.1 kg 2
1f09007b-356a-4328-a863-fdd51db1050c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b23467779224a118",
  "prefLabel": [
    {
      "@value": "Tridecan-2-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Tridecanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_77928"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Hendecyl methyl ketone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_77928"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Methyl n-undecyl ketone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_77928"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "methyl undecyl ketone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "tridecanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tridecanone-2",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    }
  ],
  "properties": {
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        "C13H26O"
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      },
      "rdfs:label": "Molecular formula",
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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      ]
    },
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChIKey",
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    },
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        {
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    },
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    "https://w3id.org/chemrof/IUPAC_name": {
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    },
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}

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