Consensus flow list

Hexa-2,4-dienal

fo-f813acaaedd841cd

Identity

Type
NeutralMolecule
CAS
142-83-6
EC
205-564-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Hexa-2,4-dienal

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BATOPAZDIZEVQF-MQQKCMAXSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+
Isomeric SMILES string chemrof:isomeric_smiles_string C/C=C/C=C/C=O
IUPAC name chemrof:IUPAC_name (2E,4E)-hexa-2,4-dienal
Molecular formula chemrof:molecular_formula C6H8O
Molecular mass chemrof:molecular_mass 96.129
Monoisotopic mass chemrof:monoisotopic_mass 96.05751, 96.057515
SMILES string chemrof:smiles_string CC=CC=CC=O

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
agr agr:IND44358114 enrich_references.chebi_xrefs
agr agr:IND44589394 enrich_references.chebi_xrefs
beilstein beilstein:1698401 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=142-83-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82334 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.059 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.113.316 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2025391 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1576086 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/transtrans-24-hexadienal enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB013267 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/878K4I6N7T enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0034729 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.868.915D enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J12.975E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J24.154G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19249 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19249 enrich_references.pubchem_identifier_url
knapsack knapsack:C00035881 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA06000006 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA06000006 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3405 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46661 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/637564 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017580 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/14999299 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17203148 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27155883 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4b0fff60-b40c-4597-9553-e51f50db4201 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b9e9e1e4-1f38-4337-a9dc-4465ca725147 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
72f3eb55-0205-4825-af0d-f41f2ce1d1e5 Environmental → Air → Indoor EF 3.1 kg 2
03bba91c-dd15-4483-b856-956abff189bc Environmental → Air → Long-term EF 3.1 kg 0
e507ed31-5bf1-4105-beeb-03bda3ceee60 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
05f68bbd-2bb0-44e6-96df-f8bfe68eebe9 Environmental → Air → Unknown EF 3.1 kg 2
9f3afc90-70b7-4941-91df-973055c600b8 Environmental → Ground → Agricultural EF 3.1 kg 2
0001377b-86f8-4d3b-a068-139406f8172a Environmental → Ground → Non-agricultural EF 3.1 kg 2
28afeb4a-2de4-4042-be68-11b8c7c67130 Environmental → Ground → Unknown EF 3.1 kg 2
d55be35d-88bf-4843-a37c-db51cbec6412 Environmental → Water → Long-term EF 3.1 kg 0
8275f95f-f3da-43c0-807f-9f01f25eaa09 Environmental → Water → Ocean EF 3.1 kg 2
1cb5570a-594b-467c-870d-32bd49979078 Environmental → Water → Surface water EF 3.1 kg 2
bf9e0789-34bf-4e61-83bc-7ccfb3d2e035 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 
{
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