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Barbituric acid

UUID 4cf99f04-a9cf-4a44-ada3-bb2655acefd1
Deprecated yes
Replaced By 21086c5b-5eee-4cff-9b3a-966690f9bda4
Flow Object IDfo-45f22f113ae1387d
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 67-52-7
EC Numbers 200-658-0
prefLabel ⓘ
Language Value Provenance
en Barbituric acid
altLabel ⓘ
Language Value Provenance
en 2,4,6(1H,3H,5H)-pyrimidinetrione
en Barbitursaeure
en Malonylharnstoff
en Malonylurea
en 1,2,3,4,5,6-Hexahydro-2,4,6-pyrimidinetrione
en 1,3-Diazinane-2,4,6-trione
en 2,4,6(1<em>H</em>,3<em>H</em>,5<em>H</em>)-Pyrimidinetrione
en 2,4,6-Pyrimidinetriol
en 2,4,6-Pyrimidinetrione
en 2,4,6-Trihydroxypyrimidine
en 2,4,6-Trioxohexahydropyrimidine
en 2-Hydroxypyrimidine-4,6(1<em>H</em>,5<em>H</em>)-dione
en 6-Hydroxyuracil
en Hexahydropyrimidine-2,4,6-trione
en NSC 7889
en Pyrimidinetrione
en Urea, <em>N</em>,<em>N</em>′-(1,3-dioxo-1,3-propanediyl)-
Definitions
Language Value Provenance
en A barbiturate, the structure of which is that of perhydropyrimidine substituted at C-2, -4 and -6 by oxo groups. Barbituric acid is the parent compound of barbiturate drugs, although it is not itself pharmacologically active.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey HNYOPLTXPVRDBG-UHFFFAOYSA-N
InChI InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
IUPAC name 1,3-diazinane-2,4,6-trione, barbituric acid, hexahydropyrimidine-2,4,6-trione
Molecular formula C4H4N2O3
Molecular mass 128.087
Monoisotopic mass 128.02219
SMILES C1C(=O)NC(=O)NC1=O, O=C1CC(=O)NC(=O)N1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4cf99f04-a9cf-4a44-ada3-bb2655acefd1 pyrimidine-2,4,6(1h,3h,5h)-trione

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=pyrimidine-2,4,6(1h,3h,5h)-trione||dimension=Environmental > media=Ground > geography=Agricultural; cas=67-52-7; added Common Chemistry CAS names as altLabel: 1,2,3,4,5,6-Hexahydro-2,4,6-pyrimidinetrione, 1,3-Diazinane-2,4,6-trione, 2,4,6(1<em>H</em>,3<em>H</em>,5<em>H</em>)-Pyrimidinetrione, 2,4,6-Pyrimidinetriol, 2,4,6-Pyrimidinetrione, 2,4,6-Trihydroxypyrimidine, 2,4,6-Trioxohexahydropyrimidine, 2-Hydroxypyrimidine-4,6(1<em>H</em>,5<em>H</em>)-dione, 6-Hydroxyuracil, Hexahydropyrimidine-2,4,6-trione, NSC 7889, Pyrimidinetrione, Urea, <em>N</em>,<em>N</em>′-(1,3-dioxo-1,3-propanediyl)-; object_uuid=fo-45f22f113ae1387d
cas_match_labels 1 — consensus_match group_key=pyrimidine-2,4,6(1h,3h,5h)-trione||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'67-52-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-45f22f113ae1387d: {'67-52-7': 'exactMatch'}
prefLabel 1 — consensus_match cas=67-52-7; cc_chebi_agreed_name='Barbituric acid'; object_uuid=fo-45f22f113ae1387d

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Pyrimidine-2,4,6(1h,3h,5h)-trione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Barbituric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67-52-7'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=67-52-7; cc_chebi_agreed_name='Barbituric acid'; object_uuid=fo-45f22f113ae1387d
altLabel [{'@value': '2,4,6(1H,3H,5H)-pyrimidinetrione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,4,6(1H,3H,5H)-pyrimidinetrione', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Barbituric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Barbituric acid', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Barbitursaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Barbitursaeure', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Malonylharnstoff', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Malonylharnstoff', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Malonylurea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Malonylurea', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2,4,6(1H,3H,5H)-pyrimidinetrione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,4,6(1H,3H,5H)-pyrimidinetrione', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Barbitursaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Barbitursaeure', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Malonylharnstoff', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Malonylharnstoff', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Malonylurea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Malonylurea', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Pyrimidine-2,4,6(1h,3h,5h)-trione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=67-52-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-45f22f113ae1387d
altLabel [{'@value': '2,4,6(1H,3H,5H)-pyrimidinetrione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,4,6(1H,3H,5H)-pyrimidinetrione', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Barbitursaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Barbitursaeure', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Malonylharnstoff', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Malonylharnstoff', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Malonylurea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Malonylurea', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Pyrimidine-2,4,6(1h,3h,5h)-trione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '2,4,6(1H,3H,5H)-pyrimidinetrione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,4,6(1H,3H,5H)-pyrimidinetrione', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Barbitursaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Barbitursaeure', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Malonylharnstoff', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Malonylharnstoff', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Malonylurea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Malonylurea', 'http://purl.obolibrary.org/obo/CHEBI_16294', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2,3,4,5,6-Hexahydro-2,4,6-pyrimidinetrione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67-52-7', 'https://commonchemistry.cas.org/detail?cas_rn=67-52-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Diazinane-2,4,6-trione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67-52-7', 'https://commonchemistry.cas.org/detail?cas_rn=67-52-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,4,6(1<em>H</em>,3<em>H</em>,5<em>H</em>)-Pyrimidinetrione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67-52-7', 'https://commonchemistry.cas.org/detail?cas_rn=67-52-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,4,6-Pyrimidinetriol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67-52-7', 'https://commonchemistry.cas.org/detail?cas_rn=67-52-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,4,6-Pyrimidinetrione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67-52-7', 'https://commonchemistry.cas.org/detail?cas_rn=67-52-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,4,6-Trihydroxypyrimidine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67-52-7', 'https://commonchemistry.cas.org/detail?cas_rn=67-52-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,4,6-Trioxohexahydropyrimidine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67-52-7', 'https://commonchemistry.cas.org/detail?cas_rn=67-52-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Hydroxypyrimidine-4,6(1<em>H</em>,5<em>H</em>)-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67-52-7', 'https://commonchemistry.cas.org/detail?cas_rn=67-52-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6-Hydroxyuracil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67-52-7', 'https://commonchemistry.cas.org/detail?cas_rn=67-52-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexahydropyrimidine-2,4,6-trione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67-52-7', 'https://commonchemistry.cas.org/detail?cas_rn=67-52-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 7889', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67-52-7', 'https://commonchemistry.cas.org/detail?cas_rn=67-52-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pyrimidinetrione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67-52-7', 'https://commonchemistry.cas.org/detail?cas_rn=67-52-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, <em>N</em>,<em>N</em>′-(1,3-dioxo-1,3-propanediyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67-52-7', 'https://commonchemistry.cas.org/detail?cas_rn=67-52-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=pyrimidine-2,4,6(1h,3h,5h)-trione||dimension=Environmental > media=Ground > geography=Agricultural; cas=67-52-7; added Common Chemistry CAS names as altLabel: 1,2,3,4,5,6-Hexahydro-2,4,6-pyrimidinetrione, 1,3-Diazinane-2,4,6-trione, 2,4,6(1<em>H</em>,3<em>H</em>,5<em>H</em>)-Pyrimidinetrione, 2,4,6-Pyrimidinetriol, 2,4,6-Pyrimidinetrione, 2,4,6-Trihydroxypyrimidine, 2,4,6-Trioxohexahydropyrimidine, 2-Hydroxypyrimidine-4,6(1<em>H</em>,5<em>H</em>)-dione, 6-Hydroxyuracil, Hexahydropyrimidine-2,4,6-trione, NSC 7889, Pyrimidinetrione, Urea, <em>N</em>,<em>N</em>′-(1,3-dioxo-1,3-propanediyl)-; object_uuid=fo-45f22f113ae1387d
cas_match_labels None {'67-52-7': 'exactMatch'} group_key=pyrimidine-2,4,6(1h,3h,5h)-trione||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'67-52-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-45f22f113ae1387d: {'67-52-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
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  "context": {
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    "media": "Ground",
    "geography": "Unknown"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "4cf99f04-a9cf-4a44-ada3-bb2655acefd1",
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      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to soil",
          "Emissions to non-agricultural soil"
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    }
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