Consensus flow list

Identity

Type
Neutral molecule
CAS
83-34-1
EC
201-471-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Skatole

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZFRKQXVRDFCRJG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
IUPAC name chemrof:IUPAC_name Skatole
Molecular formula chemrof:molecular_formula C9H9N
Molecular mass chemrof:molecular_mass 131.178
Monoisotopic mass chemrof:monoisotopic_mass 131.073499, 131.0735
SMILES string chemrof:smiles_string Cc1c[nH]c2ccccc12

Known URLs

26

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=83-34-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9171 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.338 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8021775 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=122024 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1329793 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/skatole enrich_references.pubchem_identifier_url
gmelin gmelin:396961 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9W945B5H7R enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000466 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.211E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C08313 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C08313 enrich_references.pubchem_identifier_url
knapsack knapsack:C00001430 enrich_references.chebi_xrefs
lincs.smallmolecule lincs.smallmolecule:LSM-3655 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37262 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=SKATOLE enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C87586 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6736 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/16656260 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22950976 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24358366 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7487051 enrich_references.chebi_xrefs
reaxys reaxys:111296 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q412281 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Skatole enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
efcc824f-e3f0-4940-ad50-b96a116703ea Environmental → Air → Aircraft cruise height EF 3.1 kg 2
73eea26a-31b2-401a-9d0e-65cf25fdddef Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f2799c4c-1830-455a-b441-39225874b365 Environmental → Air → Indoor EF 3.1 kg 2
d909475f-a6d4-42ce-a693-74bd8f267eb7 Environmental → Air → Long-term EF 3.1 kg 0
bb75351f-6252-4f41-a5cc-3225982b48d4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e9de2f7f-9d41-4f18-b3a5-1a4c736853a4 Environmental → Air → Unknown EF 3.1 kg 2
8b649fb3-b58d-4f12-99d8-787ed74f15a1 Environmental → Ground → Agricultural EF 3.1 kg 2
2429d9ea-cb05-4321-bc69-28a57a7c3794 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6f2bf4b7-0844-4686-b85f-ec7f68b40435 Environmental → Ground → Unknown EF 3.1 kg 2
40e3a221-7a46-4786-8396-ee97c95dd923 Environmental → Water → Long-term EF 3.1 kg 0
28bd4970-c4ca-4f64-b9a2-7c995fd5787c Environmental → Water → Ocean EF 3.1 kg 2
58fd2a7a-6783-4620-bf3f-5b7eb5fb8805 Environmental → Water → Surface water EF 3.1 kg 2
13acb848-e73c-4669-b8f8-caa1a936b727 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-4ed6643af52f89fd",
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      "@language": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  ],
  "altLabel": [
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    },
    {
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    },
    {
      "@value": "Scatole",
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    },
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