Consensus flow list

But-3-enenitrile

fo-9c0d33aff1521a66

Identity

Type
NeutralMolecule
CAS
109-75-1
EC
203-701-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for But-3-enenitrile

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
antifeedant CHEBI:22583 A substance that prevents pests from feeding. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SJNALLRHIVGIBI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2
IUPAC name chemrof:IUPAC_name But-3-enenitrile
Molecular formula chemrof:molecular_formula C4H5N
Molecular mass chemrof:molecular_mass 67.091
Monoisotopic mass chemrof:monoisotopic_mass 67.042199, 67.0422
SMILES string chemrof:smiles_string C=CCC#N

Known URLs

31

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
agr agr:IND44601542 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=109-75-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:183063 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.366 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.13876176.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6021905 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2583 enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB003384 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/527U1WJJ18 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031323 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.438D enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44819 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-19505 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8009 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11134641 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14871587 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15176828 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16852601 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18987211 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18990727 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19215140 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20337453 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21988568 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23761299 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26466510 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30022177 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32550577 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34608688 enrich_references.chebi_xrefs
reaxys reaxys:605352 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q1321290 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Allyl_cyanide enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
e44ac067-3133-46ab-a6f4-43e57c1dd24b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d628f7bb-a4e8-4d38-a45e-6df230ce7673 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
33534af5-e95a-472b-8997-6154249a9a6b Environmental → Air → Indoor EF 3.1 kg 2
5aa60128-9cef-46e6-9e63-f526bc18f651 Environmental → Air → Long-term EF 3.1 kg 0
6efe77e9-dbd2-488c-a3dd-eb4476713560 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
cee3ef44-4bf4-40c7-b429-4534af4da87f Environmental → Air → Unknown EF 3.1 kg 2
875055f9-905a-43f6-92ca-9be9feb255fe Environmental → Ground → Agricultural EF 3.1 kg 2
4f2ae99d-fd6c-4ef2-8e10-5bed2d7139de Environmental → Ground → Non-agricultural EF 3.1 kg 2
e00dbdf5-5a93-417e-a80c-f182559db01b Environmental → Ground → Unknown EF 3.1 kg 2
eb3d2410-1a7f-44b2-8a6f-bdf07b857196 Environmental → Water → Long-term EF 3.1 kg 0
739d4ffc-81dc-457b-82ed-597e0a8497d1 Environmental → Water → Ocean EF 3.1 kg 2
af9b7112-3b4e-4879-b9e1-78cdbf8d427e Environmental → Water → Surface water EF 3.1 kg 2
548a9a36-8c42-45c8-a5b9-e3ddc60cc02c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-9c0d33aff1521a66",
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  "altLabel": [
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      "@value": "1-butene-4-nitrile",
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