Brightway Flows 1.0
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Isonicotinic Acid

fo-90f3bfe42708a2e4

Identity

Type
Neutral molecule
CAS
55-22-1
EC
200-228-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Isonicotinic Acid

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string TWBYWOBDOCUKOW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
IUPAC name chemrof:IUPAC_name Isonicotinic 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)c1ccncc1

Known URLs

28

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=163751-04-0 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=55-22-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6032 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.208 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020757 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB16884 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1483 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1203 enrich_references.pubchem_identifier_url
gmelin gmelin:68876 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Y8SYN761TQ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0060665 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.559D enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J452.015G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07446 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07446 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49821 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA166131583 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/K8NP3Q7CVXWG enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5922 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=008957 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/13115353 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22537922 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23832340 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23929452 enrich_references.chebi_xrefs
reaxys reaxys:109599 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q410465 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Isonicotinic_Acid enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Isonicotinic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ada73def-8b36-4c09-810d-8e09852b2d2f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9e9377e3-25b7-4f79-9045-680409d18a20 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4485c760-302a-4d9f-a2ec-5a1735c5ca93 Environmental → Air → Indoor EF 3.1 kg 2
0e01c9b4-e2bb-4e02-a727-0a6e071dac37 Environmental → Air → Long-term EF 3.1 kg 0
8b4cbdf5-c20e-4b20-9a52-f3b63f37f3d1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4757f150-6657-416e-b808-f480966dfb8d Environmental → Air → Unknown EF 3.1 kg 2
17f50101-26f8-4f2c-bf79-ae4a45fdd1fb Environmental → Ground → Agricultural EF 3.1 kg 2
4ab54f19-f4b2-4b0e-a4e2-ad2336691a92 Environmental → Ground → Non-agricultural EF 3.1 kg 2
7e23f83e-3614-4317-b656-ba06bcceffb9 Environmental → Ground → Unknown EF 3.1 kg 2
be4c3885-b403-4722-96b7-a1a004cf27e6 Environmental → Water → Long-term EF 3.1 kg 0
bf2fd4f4-7777-4190-a29f-19be74f9f73d Environmental → Water → Ocean EF 3.1 kg 2
23486b5b-411e-42e7-b69e-9d89de90e076 Environmental → Water → Surface water EF 3.1 kg 2
731a5f72-5e30-4139-997d-3b961eeba50b 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 
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