Consensus flow list

Identity

Type
Neutral molecule
CAS
499-83-2
EC
207-894-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Pyridine-2,6-dicarboxylic Acid

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WJJMNDUMQPNECX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
IUPAC name chemrof:IUPAC_name Pyridine-2,6-dicarboxylic Acid
Molecular formula chemrof:molecular_formula C7H5NO4
Molecular mass chemrof:molecular_mass 167.12
Monoisotopic mass chemrof:monoisotopic_mass 167.021858, 167.02186
SMILES string chemrof:smiles_string O=C(O)c1cccc(C(=O)O)n1

Known URLs

23

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=499-83-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:46837 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.178 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7022043 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB04267 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB04267 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=176 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL284104 enrich_references.pubchem_identifier_url
gmelin gmelin:50798 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UE81S5CQ0G enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0033161 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.184K enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45921 enrich_references.pubchem_identifier_url
patent patent:US5298478 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:PDC enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL284104 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10367 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=022752 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23396907 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24123749 enrich_references.chebi_xrefs
reaxys reaxys:131629 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q417164 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dipicolinic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
7725f90f-a417-4d57-8a1e-234f042108c0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
55855174-10e0-4549-9782-b8d58e473eac Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
52a0b904-8108-46a5-915e-44d7f32aab4d Environmental → Air → Indoor EF 3.1 kg 2
2cd8543a-05b5-46aa-a196-e7da37371feb Environmental → Air → Long-term EF 3.1 kg 0
e6bef6a8-7d7d-488f-ae60-9c4cd3db89fa Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c2aecd00-6f4f-421d-98b7-1f5dcf1c23cd Environmental → Air → Unknown EF 3.1 kg 2
590fc4f9-8f68-4a57-9bf4-7f52e384439b Environmental → Ground → Agricultural EF 3.1 kg 2
aef83108-8678-496c-ba0c-006ea2156b08 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e9610e4c-8792-4ae1-b08e-2aefe8a18a24 Environmental → Ground → Unknown EF 3.1 kg 2
ec7407a3-03c0-4b5e-92c5-096bfd3c20e9 Environmental → Water → Long-term EF 3.1 kg 0
47216f52-ee9b-4272-a96d-56ba9e8869b4 Environmental → Water → Ocean EF 3.1 kg 2
43a748ba-dd86-45cd-b2fe-ea49f318916c Environmental → Water → Surface water EF 3.1 kg 2
5fd880d6-d937-454c-b606-ed0fc7b872e7 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-ef96099300a9c89e",
  "prefLabel": [
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      "@value": "Pyridine-2,6-dicarboxylic Acid",
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
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      "@value": "2,6-dicarboxypyridine",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-Dipicolinic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-PDA",
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      }
    },
    {
      "@value": "2,6-pyridinedicarboxylic acid",
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    },
    {
      "@value": "6-Carboxypicolinic acid",
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    },
    {
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    },
    {
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    },
    {
      "@value": "Pyridine-2,6-diformic acid",
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  "properties": {
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