Consensus flow list

Identity

Type
Neutral molecule
CAS
112-42-5
EC
203-970-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Undecan-1-ol

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KJIOQYGWTQBHNH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
IUPAC name chemrof:IUPAC_name Undecan-1-ol
Molecular formula chemrof:molecular_formula C11H24O
Molecular mass chemrof:molecular_mass 172.312
Monoisotopic mass chemrof:monoisotopic_mass 172.182715, 172.18272
SMILES string chemrof:smiles_string CCCCCCCCCCCO

Known URLs

32

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
agr agr:IND607566356 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=112-42-5 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=143819-62-9 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87499 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.609 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.524 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1539 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0026915 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=403667 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL444525 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/undecyl-alcohol enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB002917 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/06MJ0P28T3 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0013113 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.126H enrich_references.pubchem_identifier_url
knapsack knapsack:C00019556 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA05000144 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3234 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-17288 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8184 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=547755 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/22718499 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23719708 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/35481694 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/37121139 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/37297429 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/37418905 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6020567 enrich_references.chebi_xrefs
reaxys reaxys:1698334 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q161686 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Undecanol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
1dc67595-1741-4ead-9a80-a451f9109a10 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4323a61f-0f13-47b2-8be4-acb1e9377958 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7faf9cdc-0dbd-4f99-b859-b49388868ce7 Environmental → Air → Indoor EF 3.1 kg 2
4b45cb73-360e-43fc-8c4e-6ebff0b640a9 Environmental → Air → Long-term EF 3.1 kg 0
36da5705-17ea-4280-ae04-3614573d5775 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8b9dea5f-fcb3-4958-a1f5-1c8e070e78e4 Environmental → Air → Unknown EF 3.1 kg 2
3a4feef9-973b-47e6-a8dc-4f836f66dc87 Environmental → Ground → Agricultural EF 3.1 kg 2
f9e7150c-3b56-40e2-a877-7e3297d4a562 Environmental → Ground → Non-agricultural EF 3.1 kg 2
0bfc1eb2-04e5-4d43-8371-b54ccc85f1c2 Environmental → Ground → Unknown EF 3.1 kg 2
3c802124-1efd-4b6b-9d08-e0e789a71bf1 Environmental → Water → Long-term EF 3.1 kg 0
6d073376-8cad-4f17-9b83-25fc28641e1e Environmental → Water → Ocean EF 3.1 kg 2
0cce728d-40ed-48ff-8fdf-afe11d7527a8 Environmental → Water → Surface water EF 3.1 kg 2
1500b8a9-abf4-4c1f-91c4-b3b534cde87f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-87bb19caaa8caff0",
  "prefLabel": [
    {
      "@value": "Undecan-1-ol",
      "@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": "1-hendecanol",
      "@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_87499"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-hydroxyundecane",
      "@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_87499"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-undecanol",
      "@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_87499"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-undecyl alcohol",
      "@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_87499"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Alchem 11",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-42-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Exxal 11S",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-42-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "hendecanoic alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "hendecyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Linevol 11",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-42-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-hendecylenic alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    },
    {
      "@value": "n-undecan-1-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "n-undecyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Neodol 1",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-42-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tip-Nip",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "undecanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "undecyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
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  ],
  "properties": {
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        "C11H24O"
      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
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        },
        {
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCO"
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        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
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      "provenance": [
        {
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        {
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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    },
    "https://w3id.org/chemrof/elemental_charge": {
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      "@value": [
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      "attested_by": {
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Undecan-1-ol"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "Undecan-1-ol": [
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        ]
      }
    }
  },
  "references": [
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        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
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    },
    {
      "@id": "foodb.food:FDB002917",
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