Brightway Flows 1.0
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Icosan-1-ol

fo-3a2f03ed2d5aa16f

Identity

Type
Neutral molecule
CAS
629-96-9
EC
211-119-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Icosan-1-ol

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BTFJIXJJCSYFAL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3
IUPAC name chemrof:IUPAC_name Icosan-1-ol
Molecular formula chemrof:molecular_formula C20H42O
Molecular mass chemrof:molecular_mass 298.555
Monoisotopic mass chemrof:monoisotopic_mass 298.323566, 298.32357
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCCCCCCCO

Known URLs

31

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:IND601331134 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=629-96-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75627 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.110 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0027272 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=120887 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL451717 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1QR1QRA9BU enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0011619 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.549E enrich_references.pubchem_identifier_url
knapsack knapsack:C00035094 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA05000221 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA05000221 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3311 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-7869 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12404 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=535125 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10777893 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18515230 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24421258 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25364658 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30772670 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33100100 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/35613215 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36840197 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/37102467 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/37111302 enrich_references.chebi_xrefs
reaxys reaxys:1705104 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1368131 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q4783532 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Arachidyl_alcohol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
ce4b3287-1c97-4c2c-a7dc-74a94de65082 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3859a80a-6a62-444f-ac7a-f510b4b25871 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8bb8fac1-3730-4b53-9bf1-60ca71d70195 Environmental → Air → Indoor EF 3.1 kg 2
ff192fc9-1c6c-49af-b091-fab74087e305 Environmental → Air → Long-term EF 3.1 kg 0
0a2ec5a6-bff1-4e66-9b66-13606a7a5602 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
65b75555-8a18-47fa-b86c-2b6507e78d18 Environmental → Air → Unknown EF 3.1 kg 2
8aa03891-0d39-485f-b38c-6a777e30ad11 Environmental → Ground → Agricultural EF 3.1 kg 2
5ac67be5-7df4-480d-9c73-8abb9fd30546 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ac24fee6-ac86-41f8-8999-f268172a9dc9 Environmental → Ground → Unknown EF 3.1 kg 2
5d6341e9-235c-4da6-9c67-9b407b0e55ff Environmental → Water → Long-term EF 3.1 kg 0
cf87abed-7a59-4d1c-9ae7-15b8c79d43dd Environmental → Water → Ocean EF 3.1 kg 2
452ffde6-c256-40b3-ade9-0e15d50b0601 Environmental → Water → Surface water EF 3.1 kg 2
52051796-8d6a-4fcc-8b06-150e9360f5ba 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-3a2f03ed2d5aa16f",
  "prefLabel": [
    {
      "@value": "Icosan-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-eicosanol",
      "@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_75627"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-icosanol",
      "@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_75627"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "arachic 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_75627"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "arachidic alcohol",
      "@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_75627"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "arachidyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_75627"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "eicosan-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": "eicosanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "eicosanol-(1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "eicosyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Hainol 20SS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-1-eicosanol",
      "@language": "en",
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      "provenance": {
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    },
    {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Nacol C 20",
      "@language": "en",
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  "properties": {
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      },
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCCCCO"
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCCCCCCCCCCCCO"
      ],
      "provenance": [
        {
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      "rdfs:label": "InChI",
      "@value": [
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