Consensus flow list

Identity

Type
Neutral molecule
CAS
112-31-2
EC
203-957-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Decanal

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KSMVZQYAVGTKIV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
IUPAC name chemrof:IUPAC_name Decanal
Molecular formula chemrof:molecular_formula C10H20O
Molecular mass chemrof:molecular_mass 156.269
Monoisotopic mass chemrof:monoisotopic_mass 156.151415, 156.15142
SMILES string chemrof:smiles_string CCCCCCCCCC=O

Known URLs

27

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=112-31-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31457 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.598 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021553 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6087 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2228377 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/decanal enrich_references.pubchem_identifier_url
gmelin gmelin:218612 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/31Z90Q7KQJ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0011623 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.888F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C12307 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C12307 enrich_references.pubchem_identifier_url
knapsack knapsack:C00030099 enrich_references.chebi_xrefs
knapsack knapsack:C00030804 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA06000052 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA06000052 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3450 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-8490 enrich_references.chebi_xrefs
patent patent:JP2002146386 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8175 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/23513747 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24444903 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24491729 enrich_references.chebi_xrefs
reaxys reaxys:1362530 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q903525 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Decanal enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
587aebb7-1bd9-4652-b455-ecbc540bc582 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
15479e5a-6dcf-4949-9360-0d30e02b0f5b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
cac3c2ca-0d36-4862-af61-17ea61b8dd9f Environmental → Air → Indoor EF 3.1 kg 4
54c647bf-9e96-4bd8-8a1c-9d96104b9915 Environmental → Air → Long-term EF 3.1 kg 0
dbd45436-5c28-4efb-892b-efa166f65a85 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
133dfbf9-f2a2-472b-9d84-89317745dee5 Environmental → Air → Unknown EF 3.1 kg 4
b827fcac-dbc5-4aed-b420-150955525ff6 Environmental → Ground → Agricultural EF 3.1 kg 4
44e9df52-f3b3-4b46-aa51-93b3cc72e45e Environmental → Ground → Non-agricultural EF 3.1 kg 4
95c36757-3ebd-4c16-967e-b100572fc6ab Environmental → Ground → Unknown EF 3.1 kg 4
e99786f6-524a-4bcb-97c4-3d6fefc563e7 Environmental → Water → Long-term EF 3.1 kg 0
cdf922ec-367e-4380-b89e-de6b94ce8689 Environmental → Water → Ocean EF 3.1 kg 4
97e6ab3e-876a-440e-b35c-8f8204e37045 Environmental → Water → Surface water EF 3.1 kg 4
2de268f1-217f-4cb9-aea3-f87bd430267a Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-315942bbbc187c61",
  "prefLabel": [
    {
      "@value": "Decanal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Decanal",
      "@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_31457"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-decyl aldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_31457"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "capraldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_31457"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Capric aldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "caprinaldehyde",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Caprinic aldehyde",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Decaldehyde",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "decanaldehyde",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Decyl aldehyde",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Decylic aldehyde",
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    },
    {
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    },
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        },
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