Consensus flow list

Identity

Type
Neutral molecule
CAS
66-25-1
EC
200-624-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Hexanal

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JARKCYVAAOWBJS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
IUPAC name chemrof:IUPAC_name Hexanal
Molecular formula chemrof:molecular_formula C6H12O
Molecular mass chemrof:molecular_mass 100.161
Monoisotopic mass chemrof:monoisotopic_mass 100.088815, 100.08882
SMILES string chemrof:smiles_string CCCCCC=O

Known URLs

24

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=66-25-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88528 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.567 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2021604 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2596 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL280331 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/hexanal enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9DC2K31JJQ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0005994 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.409E enrich_references.pubchem_identifier_url
knapsack knapsack:C00000357 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA06000109 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA06000109 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3507 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=HEXANAL enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6184 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1207 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/17487452 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19167006 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22284503 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27025353 enrich_references.chebi_xrefs
reaxys reaxys:506198 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q420698 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Hexanal enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
766846d1-27b7-429b-9b60-a66da1a16383 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
764e30f9-ddd8-4b8b-982a-fb347c927b85 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c9895272-0515-471c-b0b5-c325cbbc405c Environmental → Air → Indoor EF 3.1 kg 2
9bf46101-d563-4ce5-b8af-bffd44744493 Environmental → Air → Long-term EF 3.1 kg 0
3b2fbaf3-41ff-4932-b412-5f25aacb929c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fdaaa458-d02d-4777-8daa-97059be591a2 Environmental → Air → Unknown EF 3.1 kg 2
9c8d6f75-4828-423c-8a59-eee1404829b7 Environmental → Ground → Agricultural EF 3.1 kg 2
a278bb4d-3fab-4bd2-8369-ee4fe17e4871 Environmental → Ground → Non-agricultural EF 3.1 kg 2
dd6ca0eb-8cba-404d-b840-6706443e6b14 Environmental → Ground → Unknown EF 3.1 kg 2
fda3a95b-3a49-4ebd-8584-e923794f810e Environmental → Water → Long-term EF 3.1 kg 0
15b7b28f-5f85-4a42-b852-49a9e76dcc1a Environmental → Water → Ocean EF 3.1 kg 2
20033bdb-a219-4159-bfad-143f1a984977 Environmental → Water → Surface water EF 3.1 kg 2
1cb460c2-9229-4541-a1f5-6910fafe8aa5 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-0520cd851f6466f6",
  "prefLabel": [
    {
      "@value": "Hexanal",
      "@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-Hexanal",
      "@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_88528"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Aldehyde C-6",
      "@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_88528"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "C6 aldehyde",
      "@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_88528"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Caproaldehyde",
      "@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_88528"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Caproic aldehyde",
      "@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_88528"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Capronaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=66-25-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_88528"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Hexan-1-al",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_88528"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Hexanaldehyde",
      "@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_88528"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Hexoic aldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Hexylaldehyde",
      "@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-C5H11CHO",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-Caproaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "n-Caproic aldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "n-Capronaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "N-Hexanal",
      "@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-Hexylaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  "properties": {
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      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        },
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        },
        {
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      "rdfs:label": "InChI",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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    },
    "https://w3id.org/chemrof/elemental_charge": {
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      "attested_by": {
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
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      },
      "attested_by": {
        "Hexanal": [
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  },
  "references": [
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