Consensus flow list

Identity

Type
Neutral molecule
CAS
85-01-8
EC
201-581-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Phenanthrene

What it is used for

1

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

Alternative labels

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YNPNZTXNASCQKK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
IUPAC name chemrof:IUPAC_name Phenanthrene
Molecular formula chemrof:molecular_formula C14H10
Molecular mass chemrof:molecular_mass 178.234
Monoisotopic mass chemrof:monoisotopic_mass 178.07825
SMILES string chemrof:smiles_string c1ccc2c(c1)ccc1ccccc12

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=85-01-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28851 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.437 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.223.383 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6024254 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB08381 enrich_references.chebi_xrefs
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=26256 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL46730 enrich_references.pubchem_identifier_url
gmelin gmelin:28699 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/448J8E5BST enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256390 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.885G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11422 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11422 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51867 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-13485 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C84047 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:PEY enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL46730 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/995 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017523 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11472527 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24216621 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24722053 enrich_references.chebi_xrefs
reaxys reaxys:1905428 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0431 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q422037 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phenanthrene enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
e2fb2bd0-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-9fd6-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
dfb47ee7-4c85-451e-a9b2-a68a4d79d25b Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-9fd5-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-9fd7-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-9fdc-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-9fda-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f02-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-9fdb-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f00-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-9f03-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-9fd8-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f01-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
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