Consensus flow list

Identity

Type
NeutralMolecule
CAS
67-52-7
EC
200-658-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Barbituric acid

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HNYOPLTXPVRDBG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
IUPAC name chemrof:IUPAC_name Barbituric acid
Molecular formula chemrof:molecular_formula C4H4N2O3
Molecular mass chemrof:molecular_mass 128.087
Monoisotopic mass chemrof:monoisotopic_mass 128.02219, 128.022192
SMILES string chemrof:smiles_string O=C1CC(=O)NC(=O)N1

Known URLs

25

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=67-52-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16294 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.598 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020129 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7889 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL574699 enrich_references.pubchem_identifier_url
gmelin gmelin:101571 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WQ92Y2793G enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041833 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2933.52.10.00 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2933.54.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J348D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00813 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00813 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49568 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C67084 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6211 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=023058 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/22139480 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23038042 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23915243 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3654008 enrich_references.chebi_xrefs
reaxys reaxys:120502 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q410278 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Barbituric_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
eaeade13-7869-4949-9f1c-c99dd0005662 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
f2b8fd50-0a80-4bd0-8949-3e05dc84e4ae Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
363b6c0b-efc6-4a62-9fba-378925db8824 Environmental → Air → Indoor EF 3.1 kg 0
ce595ffb-7875-4abd-9fa7-d2392b4feb51 Environmental → Air → Long-term EF 3.1 kg 0
e934549a-2901-461f-bbed-88be023c2187 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
ea76aeaf-2617-4c78-aa1e-05269c1343eb Environmental → Air → Unknown EF 3.1 kg 0
0112bf59-a467-44cc-99b4-47d38b83b945 Environmental → Ground → Agricultural EF 3.1 kg 0
4cf99f04-a9cf-4a44-ada3-bb2655acefd1 Environmental → Ground → Non-agricultural EF 3.1 kg 0
21086c5b-5eee-4cff-9b3a-966690f9bda4 Environmental → Ground → Unknown EF 3.1 kg 0
85f0f66e-6a84-4b22-bdf3-fb36f7228083 Environmental → Water → Long-term EF 3.1 kg 0
8d8e3884-a4a0-4b2d-a208-b3bc3432925d Environmental → Water → Ocean EF 3.1 kg 0
acd110ee-3383-4ff0-9ae7-5045c0289dd8 Environmental → Water → Surface water EF 3.1 kg 0
a26ab94c-305e-4860-9619-646ecb36933e Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-45f22f113ae1387d",
  "prefLabel": [
    {
      "@value": "Barbituric acid",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  ],
  "altLabel": [
    {
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    {
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    {
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    {
      "@value": "2,4,6-Trioxohexahydropyrimidine",
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    {
      "@value": "2-Hydroxypyrimidine-4,6(1H,5H)-dione",
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    },
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    },
    {
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    {
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