Consensus flow list

Identity

Type
Neutral molecule
CAS
1453-82-3
EC
215-926-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Isonicotinamide

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VFQXVTODMYMSMJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
IUPAC name chemrof:IUPAC_name Isonicotinamide
Molecular formula chemrof:molecular_formula C6H6N2O
Molecular mass chemrof:molecular_mass 122.127
Monoisotopic mass chemrof:monoisotopic_mass 122.04801, 122.048013
SMILES string chemrof:smiles_string NC(=O)c1ccncc1

Known URLs

20

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=1453-82-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6031 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.014.479 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3020756 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=82353 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL271717 enrich_references.pubchem_identifier_url
gmelin gmelin:3038 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4H3BH6YX9Q enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0253663 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J68.789H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C02421 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C02421 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-37066 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53235 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15074 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=008958 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24246675 enrich_references.chebi_xrefs
reaxys reaxys:2173 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q192429 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Isonicotinamide enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
56c35c47-b17b-438d-9531-839e62701f48 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0817200a-95f7-440b-a033-e152df55f537 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4c45cd3f-06ee-4c19-9963-c101f811ed51 Environmental → Air → Indoor EF 3.1 kg 2
98c4d8b9-6fd2-4c58-afa5-674eee361903 Environmental → Air → Long-term EF 3.1 kg 0
b768775d-836e-45ff-a5f4-6158fba58bdc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e5543e68-77df-4c13-a806-d7476bc5752e Environmental → Air → Unknown EF 3.1 kg 2
43726cc5-d56b-41bf-9106-05cef98519a7 Environmental → Ground → Agricultural EF 3.1 kg 2
1911064b-e3af-4246-9f22-cd8ba66f1a25 Environmental → Ground → Non-agricultural EF 3.1 kg 2
bb557df9-88bd-4e1b-97b3-f256ac4ed609 Environmental → Ground → Unknown EF 3.1 kg 2
4b6781f2-7e97-4e28-a4b6-35d72f37a51b Environmental → Water → Long-term EF 3.1 kg 0
ac553a77-5ebe-49b4-9e06-1d2e8dc42bbf Environmental → Water → Ocean EF 3.1 kg 2
52479d07-7fdf-421c-af72-455bbab5f942 Environmental → Water → Surface water EF 3.1 kg 2
6e45778e-c9ff-404e-9e4e-8ed46aea7c24 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-f25b97a63187a054",
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  "altLabel": [
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    },
    {
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    {
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