Consensus flow list

Identity

Type
NeutralMolecule
CAS
5392-40-5
EC
226-394-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Citral

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
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. 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

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WTEVQBCEXWBHNA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3
IUPAC name chemrof:IUPAC_name 3,7-dimethylocta-2,6-dienal
Molecular formula chemrof:molecular_formula C10H16O
Molecular mass chemrof:molecular_mass 152.237
Monoisotopic mass chemrof:monoisotopic_mass 152.120115, 152.12012
SMILES string chemrof:smiles_string CC(C)=CCCC(C)=CC=O

Known URLs

23

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:1721871 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=5392-40-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:23316 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6024836 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2297541 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0250303 enrich_references.pubchem_identifier_url
patent patent:US2661368 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8843 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/20303242 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21174108 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21209212 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21316719 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21366054 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21510187 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21517071 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21525620 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21596542 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21713095 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21782918 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21826789 enrich_references.chebi_xrefs
reaxys reaxys:970018 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q60176530 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Citral enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
a9e0b9af-55c5-4ed6-8b8a-e62d3140fd63 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2d91e2be-386f-4f65-9c2b-a1546821e64e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
77ba59f0-009e-48fb-88fa-9bec5720159d Environmental → Air → Indoor EF 3.1 kg 4
381c146b-5b09-4922-93a0-be98020abd6d Environmental → Air → Long-term EF 3.1 kg 0
9b9b5a27-6944-438f-a54a-8f754f75ad16 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
2116c3fa-7fbb-47c2-aed9-0b9d7bfbd9e7 Environmental → Air → Unknown EF 3.1 kg 4
1bef52d9-2fc4-45df-98fc-8321e1fa7774 Environmental → Ground → Agricultural EF 3.1 kg 4
aa0961cc-7d63-427f-9ce9-d8deb502087a Environmental → Ground → Non-agricultural EF 3.1 kg 4
c4a2fe42-5df2-480e-9ca3-e37610b2ea57 Environmental → Ground → Unknown EF 3.1 kg 4
c78d5003-d496-423c-b7c9-fe6785dac174 Environmental → Water → Long-term EF 3.1 kg 0
90dbc6ab-a8d6-4c02-895e-8c41851bb527 Environmental → Water → Ocean EF 3.1 kg 4
312172af-8291-4020-a7af-9a020b778939 Environmental → Water → Surface water EF 3.1 kg 4
a5a55b1d-277d-497a-8f23-72ccd28427d0 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
{
  "flow_object_id": "fo-48367f2ee96596bf",
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      "@value": "Lemarome N",
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