Brightway Flows 1.0
GitHub

Picolinic acid

fo-664bb5188b574385

Identity

Type
Neutral molecule
CAS
98-98-6
EC
202-719-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Picolinic acid

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SIOXPEMLGUPBBT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
IUPAC name chemrof:IUPAC_name Picolinic acid
Molecular formula chemrof:molecular_formula C6H5NO2
Molecular mass chemrof:molecular_mass 123.111
Monoisotopic mass chemrof:monoisotopic_mass 123.032028, 123.03203
SMILES string chemrof:smiles_string O=C(O)c1ccccn1

Known URLs

32

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=98-98-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28747 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.472 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7031903 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB05483 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=171 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL72628 enrich_references.pubchem_identifier_url
gmelin gmelin:3318 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QZV2W997JQ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0002243 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.682I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J452.014I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10164 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10164 enrich_references.pubchem_identifier_url
knapsack knapsack:C00002063 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38092 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=PICOLINATE enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:6PC enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/KZ5DFKLARK4B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1018 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020397 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/15206716 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15206793 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15290459 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16303883 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23630570 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24119749 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7064867 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7969932 enrich_references.chebi_xrefs
reaxys reaxys:109595 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q416682 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Picolinic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
dc832f12-7b14-4100-96b4-8451d6d0e49d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3b2fd56b-d3be-4f63-a741-74817cbddd90 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
32921a5f-0a5b-48d7-b6b8-d36ae4bc9bb8 Environmental → Air → Indoor EF 3.1 kg 2
aee13b42-3fdb-4908-98fe-7a83e8bfcbd3 Environmental → Air → Long-term EF 3.1 kg 0
ad11aebf-7862-421f-84d2-d313225e476c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f38266ab-f062-420c-bd0f-0609c6b6a62d Environmental → Air → Unknown EF 3.1 kg 2
05e35fba-ca25-464f-bdd1-398b2e5eefad Environmental → Ground → Agricultural EF 3.1 kg 2
958db518-c3e6-4a8c-951f-a29911cf61d9 Environmental → Ground → Non-agricultural EF 3.1 kg 2
0c621a7b-3abe-4f45-9cec-b56ba265f845 Environmental → Ground → Unknown EF 3.1 kg 2
5b5aa39a-66b9-4d3b-a2f9-44f9c88e86c8 Environmental → Water → Long-term EF 3.1 kg 0
74f03818-f388-48e6-a61d-15b071c1eb67 Environmental → Water → Ocean EF 3.1 kg 2
5cb40c8c-3a75-4b86-a69c-34b19d4a23ab Environmental → Water → Surface water EF 3.1 kg 2
c09af5b8-56db-4b3f-aa42-3c137133efdf Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
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