Consensus flow list

Identity

Type
Neutral molecule
CAS
129-00-0
EC
204-927-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Pyrene

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
persistent organic pollutant CHEBI:77853 Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains. ChEBI

Alternative labels

3

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BBEAQIROQSPTKN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
IUPAC name chemrof:IUPAC_name Pyrene
Molecular formula chemrof:molecular_formula C16H10
Molecular mass chemrof:molecular_mass 202.256
Monoisotopic mass chemrof:monoisotopic_mass 202.07825
SMILES string chemrof:smiles_string c1cc2ccc3cccc4ccc(c1)c2c34

Known URLs

53

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
beilstein beilstein:1307225 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=129-00-0 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=17441-16-6 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=41496-25-7 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39106 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.481 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1474 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.29153.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3024289 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=17534 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66449 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL279564 enrich_references.pubchem_identifier_url
gmelin gmelin:84203 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9E0T7WFW93 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0042002 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2902.90.20.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.940H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14335 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14335 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49685 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C1209 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:8P0 enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/NWAR8FUN5F4D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31423 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017524 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/12946434 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16256641 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16349406 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17517702 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18428918 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18709924 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20201423 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22143550 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22423596 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24406158 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30515937 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30705306 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31002512 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31267635 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31365239 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31894420 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32202393 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32361518 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33420172 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33475661 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33555637 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33768634 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33871775 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7251688 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7561049 enrich_references.chebi_xrefs
reaxys reaxys:1307225 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q415723 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pyrene enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
041f8410-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
4d9a8790-3ddd-11dd-9a3e-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
a71f28ac-26ae-46eb-8ff4-19f96df36ae5 Environmental → Air → Indoor EF 3.1 kg 6
4d9a8790-3ddd-11dd-9a3d-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9a3f-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
4d9a8790-3ddd-11dd-9a3c-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
4d9a8790-3ddd-11dd-9a3a-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-a174-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
4d9a8790-3ddd-11dd-9a3b-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
4d9a8790-3ddd-11dd-9a41-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a175-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
4d9a8790-3ddd-11dd-9a40-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
fe0acd60-3ddc-11dd-a173-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
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