Consensus flow list

Identity

Type
NeutralMolecule
CAS
5522-43-0
EC
226-868-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1-nitropyrene

Alternative labels

2

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ALRLPDGCPYIVHP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
IUPAC name chemrof:IUPAC_name 1-nitropyrene
Molecular formula chemrof:molecular_formula C16H9NO2
Molecular mass chemrof:molecular_mass 247.253
Monoisotopic mass chemrof:monoisotopic_mass 247.063329, 247.06333
SMILES string chemrof:smiles_string O=[N+]([O-])c1ccc2ccc3cccc4ccc1c2c34

Known URLs

21

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=5522-43-0 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=63021-86-3 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34107 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.024.426 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6020983 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=81340 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL167395 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TD1665I8Q4 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0243967 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.838D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14421 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14421 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29781 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21694 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/21861515 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21872649 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22458822 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23348104 enrich_references.chebi_xrefs
reaxys reaxys:1882811 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q4545799 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1-Nitropyrene enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
dfdfcee1-0656-483f-80a1-da5ff13332e0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e281beb2-f227-4448-8614-a07c3478689d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1b395329-c57a-4537-8e4e-711102e0a3b4 Environmental → Air → Indoor EF 3.1 kg 2
77ec315a-4e6b-4c1a-9bcc-47d917c061c2 Environmental → Air → Long-term EF 3.1 kg 0
f49d3eab-c317-4939-ab29-88205dbfb886 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5e20ef36-be16-4819-bb76-eabd9717bd96 Environmental → Air → Unknown EF 3.1 kg 2
fc9a90bc-5bea-4dfb-9249-cc2be1847159 Environmental → Ground → Agricultural EF 3.1 kg 2
40acb7c7-9fb2-41e6-a6c1-0ef096f0328f Environmental → Ground → Non-agricultural EF 3.1 kg 2
27c5b5dd-bb9c-43da-b4da-1e3e9c75ea83 Environmental → Ground → Unknown EF 3.1 kg 2
353f5d11-3f10-4a4e-a2fb-a0dd9c592c8c Environmental → Water → Long-term EF 3.1 kg 0
56a5c3c8-d121-4f3b-8051-b847ece7f6b0 Environmental → Water → Ocean EF 3.1 kg 2
c05804f9-088f-4817-8274-e7c46f27f5e0 Environmental → Water → Surface water EF 3.1 kg 2
5ca23bdb-b002-4527-8018-99739bf84d3a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
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  ],
  "altLabel": [
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    {
      "@value": "Pyrene, 1-nitro-",
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}

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