Consensus flow list

Hexa-2,4-dienoic Acid

fo-e32fd2e3324d8e0e

Identity

Type
Neutral molecule
CAS
110-44-1
EC
203-768-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Hexa-2,4-dienoic Acid

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

Alternative labels

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WSWCOQWTEOXDQX-MQQKCMAXSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
Isomeric SMILES string chemrof:isomeric_smiles_string C/C=C/C=C/C(=O)O
IUPAC name chemrof:IUPAC_name (2E,4E)-2,4-hexadienoic acid
Molecular formula chemrof:molecular_formula C6H8O2
Molecular mass chemrof:molecular_mass 112.128
Monoisotopic mass chemrof:monoisotopic_mass 112.052429, 112.05243
SMILES string chemrof:smiles_string CC=CC=CC(=O)O

Known URLs

8

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:1098547 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=110-44-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38358 enrich_references.chebi_id_link
gmelin gmelin:260824 enrich_references.chebi_xrefs
gmelin gmelin:3063 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA01030100 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11206806 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7979442 enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
8816faf1-5673-4b09-9bb7-7473978f95ef Environmental → Air → Aircraft cruise height EF 3.1 kg 4
9ea71817-4f46-4274-be8d-60835b90df44 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f9f95819-67c3-4cea-b30a-d7c4d2906786 Environmental → Air → Indoor EF 3.1 kg 4
3a6e3d6c-c8c1-41c2-baf7-bfc1ea46da7b Environmental → Air → Long-term EF 3.1 kg 0
42022caf-6983-4414-9e6d-dda48facc495 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
6f50d992-e065-4b84-b7cf-77db19666195 Environmental → Air → Unknown EF 3.1 kg 4
6a6b9c2c-777e-46ab-afe0-8646a7d6c532 Environmental → Ground → Agricultural EF 3.1 kg 4
fc01cd56-ccf9-4c6a-a927-78d217fb0166 Environmental → Ground → Non-agricultural EF 3.1 kg 4
aeac9d2a-ba18-4483-b6a1-1d4cfbbac946 Environmental → Ground → Unknown EF 3.1 kg 4
8c010575-374a-498b-98b4-8e0170e2ae09 Environmental → Water → Long-term EF 3.1 kg 0
45a24d79-f68e-4280-b1f1-abd4372b730a Environmental → Water → Ocean EF 3.1 kg 4
d97e2c82-e35f-4c55-8ce9-e2df3df35b6e Environmental → Water → Surface water EF 3.1 kg 4
07724df9-4544-4131-a90f-4d38f1c8674c Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-e32fd2e3324d8e0e",
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    {
      "@value": "Hexa-2,4-dienoic Acid",
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  "altLabel": [
    {
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    },
    {
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    {
      "@value": "(E,E)-1,3-pentadiene-1-carboxylic acid",
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    },
    {
      "@value": "2,4-Hexadienoic acid",
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    {
      "@value": "2,4-Hexadienoic acid, (E,E)-",
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    },
    {
      "@value": "MeSH ID: D013011",
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    },
    {
      "@value": "Panosorb",
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    {
      "@value": "SA",
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    {
      "@value": "Sorbinic acid",
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    },
    {
      "@value": "Sorbistat",
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    },
    {
      "@value": "trans,trans-2,4-hexadienoic acid",
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    {
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      "@value": "α-trans-γ-trans-Sorbic acid",
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  "properties": {
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    },
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
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