Consensus flow list

Identity

Type
Neutral molecule
CAS
586-98-1
EC
209-592-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-pyridylmethanol

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SHNUBALDGXWUJI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2
IUPAC name chemrof:IUPAC_name 2-pyridylmethanol
Molecular formula chemrof:molecular_formula C6H7NO
Molecular mass chemrof:molecular_mass 109.128
Monoisotopic mass chemrof:monoisotopic_mass 109.05276, 109.052764
SMILES string chemrof:smiles_string OCc1ccccn1

Known URLs

13

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=586-98-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:195070 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.722 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8046531 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB20219 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=760363 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2103981 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7HQ8UT1TPS enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245309 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J32.889H enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76723 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11474 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27268311 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f2d34cfd-45e3-4c46-8c79-4e8557d860dd Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0f89ceb2-c956-4f06-954b-dbd9c612aaf4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d62605d4-13fa-4ff0-b4a1-e4131edfa1fc Environmental → Air → Indoor EF 3.1 kg 2
1b0a466c-6e87-43eb-9e42-45a7d67c68ad Environmental → Air → Long-term EF 3.1 kg 0
386155eb-836a-456a-b2bd-8361903a1438 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
63298c35-d542-42da-acef-3873a81b527a Environmental → Air → Unknown EF 3.1 kg 2
2e9af6e5-8be7-4f08-b36e-0f165c119ded Environmental → Ground → Agricultural EF 3.1 kg 2
885e259d-3a71-4036-8b80-53dfbde377fc Environmental → Ground → Non-agricultural EF 3.1 kg 2
66c5a2f3-7384-4ff9-bb89-9623e58530a0 Environmental → Ground → Unknown EF 3.1 kg 2
7cafe523-04e7-4b0f-be9a-9ff5facd258e Environmental → Water → Long-term EF 3.1 kg 0
5cd646a4-225c-440d-ad7e-191239b537ff Environmental → Water → Ocean EF 3.1 kg 2
d1603ba3-db58-4c3b-a483-6fc80089941a Environmental → Water → Surface water EF 3.1 kg 2
6961276e-424a-4e27-8057-3a1cabcaeb8f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
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  "altLabel": [
    {
      "@value": "2-(Hydroxymethyl)pyridine",
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      "@value": "α-Picolyl alcohol",
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    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0f89ceb2-c956-4f06-954b-dbd9c612aaf4",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "586-98-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=586-98-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=586-98-1"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "209-592-7"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=209-592-7"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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