Pyrene

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

benzo[def]phenanthrene
beta-pyrene
Pyren

Property	Value
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

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	https://www.wikidata.org/wiki/Q415723	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Pyrene	enrich_references.chebi_xrefs

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
695f784c0c93108ff2bfb7f416f1c8673015ee63	Environmental → Water → River	agribalyse algorithm addition	kg	0
4d9a8790-3ddd-11dd-9a40-0050c2490048	Environmental → Water → Surface water	EF 3.1	kg	6
766d18a0a8e2cb462fa8a2ae360f82542fdb0510	Environmental → Water → Unconfined aquifer	stepwise algorithm addition	kg	0
fe0acd60-3ddc-11dd-a173-0050c2490048	Environmental → Water → Unknown	EF 3.1	kg	6

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Pyrene

Identity

Structure

What it is used for

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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