Pyridine-2,6-dicarboxylic Acid
fo-ef96099300a9c89e
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
Alternative labels
8- 2,6-dicarboxypyridine
- 2,6-Dipicolinic acid
- 2,6-PDA
- 2,6-pyridinedicarboxylic acid
- 6-Carboxypicolinic acid
- Dipicolinic acid
- DPAc
- Pyridine-2,6-diformic acid
Properties
| Property | Value |
|---|---|
| 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
23Where 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 | 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)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works