Consensus flow list

Identity

Type
Neutral molecule
CAS
91-22-5
EC
202-051-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Quinoline

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SMWDFEZZVXVKRB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
IUPAC name chemrof:IUPAC_name Quinoline
Molecular formula chemrof:molecular_formula C9H7N
Molecular mass chemrof:molecular_mass 129.162
Monoisotopic mass chemrof:monoisotopic_mass 129.057849, 129.05785
SMILES string chemrof:smiles_string c1ccc2ncccc2c1

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=31177-31-8 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=91-22-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17362 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.865 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0071 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1021798 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB18050 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3396 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL14474 enrich_references.pubchem_identifier_url
gmelin gmelin:27201 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E66400VT9R enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0033731 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.922E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06413 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06413 enrich_references.pubchem_identifier_url
knapsack knapsack:C00026478 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46174 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=QUINOLINE enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7047 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2656 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020530 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/16406213 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8070089 enrich_references.chebi_xrefs
reaxys reaxys:107477 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q408384 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Quinoline enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
72fcc46f-f264-40e6-bef6-becff0d52502 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
84a5b4f7-9579-4768-958b-dc03733595f5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
55210852-7fef-495b-98af-c7a5da1efc33 Environmental → Air → Indoor EF 3.1 kg 4
c45168b6-3ed3-42a4-af6c-3f854bf0f694 Environmental → Air → Long-term EF 3.1 kg 0
c3b9ae0f-d16a-480a-9f5e-c1c4c73c1521 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f673aefe-4255-443c-8342-0f32662642c8 Environmental → Air → Unknown EF 3.1 kg 4
630a3356-937e-477a-95eb-3fca7e905ca5 Environmental → Ground → Agricultural EF 3.1 kg 4
91accd7d-037e-4a9d-895d-acfe75d772cc Environmental → Ground → Non-agricultural EF 3.1 kg 4
06acf621-dbb3-43a0-9b27-caf658a56615 Environmental → Ground → Unknown EF 3.1 kg 4
ca8f7e69-e00a-4286-aaf8-e82f0f3e523b Environmental → Water → Long-term EF 3.1 kg 0
7c11e470-05b0-4129-917b-a38e4f16cccb Environmental → Water → Ocean EF 3.1 kg 4
d7887715-22da-407d-9048-29700a136d52 Environmental → Water → Surface water EF 3.1 kg 4
49d9e70e-8a45-41da-a3af-2b7e5815849c Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-9191a59baf9b1909",
  "prefLabel": [
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      "@value": "Quinoline",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "1-Azanaphthalene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
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    },
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
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      }
    },
    {
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        ],
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      }
    },
    {
      "@value": "Leucoline",
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    },
    {
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    },
    {
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  "properties": {
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