Consensus flow list

Identity

Type
Neutral molecule
CAS
110-65-6
EC
203-788-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for But-2-yne-1,4-diol

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DLDJFQGPPSQZKI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2
IUPAC name chemrof:IUPAC_name But-2-yne-1,4-diol
Molecular formula chemrof:molecular_formula C4H6O2
Molecular mass chemrof:molecular_mass 86.09
Monoisotopic mass chemrof:monoisotopic_mass 86.036779, 86.03678
SMILES string chemrof:smiles_string OCC#CCO

Known URLs

20

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=110-65-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16413 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.445 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1733 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021921 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=834 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187551 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G80992YA enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AXH202FPQM enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245045 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.098I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C02497 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C02497 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=50490 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8066 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2716 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=053160 enrich_references.pubchem_identifier_url
reaxys reaxys:1071237 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q209328 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,4-Butynediol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
37247d55-b7e3-4bef-92f6-fbdeac0b6015 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
27508799-1b1e-4197-9e56-3e494f086a18 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
517a2bef-1c3f-445b-b1f4-814838c818f4 Environmental → Air → Indoor EF 3.1 kg 4
cf4c24a9-6717-4659-835c-cf559ec9b3b0 Environmental → Air → Long-term EF 3.1 kg 0
7a3c5268-cc8f-4dc0-bd57-73da2634cafc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a5008c73-fea0-41ea-88b7-a65f9ce97308 Environmental → Air → Unknown EF 3.1 kg 4
3529be47-2e36-4da0-8381-4fe59a217884 Environmental → Ground → Agricultural EF 3.1 kg 4
2bf90a98-4578-4813-b949-f8ce0885ffaa Environmental → Ground → Non-agricultural EF 3.1 kg 4
52dc35bd-6df6-47f7-911e-365701d99260 Environmental → Ground → Unknown EF 3.1 kg 4
6c20095f-c781-4921-b5bf-9d55398c7b73 Environmental → Water → Long-term EF 3.1 kg 0
d14fa910-3ebd-499d-af18-6fa8041a0e14 Environmental → Water → Ocean EF 3.1 kg 4
35576eb6-98bb-4f0a-a0e9-00a524bfb226 Environmental → Water → Surface water EF 3.1 kg 4
e758273b-7833-4bfb-b262-26567ef5cc63 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-c362c2f27c559743",
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  "altLabel": [
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    },
    {
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