Consensus flow list

Terbutryn

fo-33902944a26c500e

Identity

Type
NeutralMolecule
CAS
886-50-0
EC
212-950-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Terbutryn

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
herbicide CHEBI:24527 A substance used to destroy plant pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

27

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IROINLKCQGIITA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
IUPAC name chemrof:IUPAC_name 2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-s-triazine
Molecular formula chemrof:molecular_formula C10H19N5S
Molecular mass chemrof:molecular_mass 241.364
Monoisotopic mass chemrof:monoisotopic_mass 241.136117, 241.13612
SMILES string chemrof:smiles_string CCNc1nc(NC(C)(C)C)nc(SC)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
beilstein beilstein:611817 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=886-50-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:44156 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.773 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3024318 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB08215 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB08215 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1234490 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZXL474TLFP enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0258830 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.469B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18811 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18811 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52363 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:MST enrich_references.chebi_xrefs
pesticides pesticides:terbutryn enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1234490 enrich_references.pubchem_identifier_url
ppdb ppdb:624 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13450 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11201052 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18049772 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7108146 enrich_references.chebi_xrefs
reaxys reaxys:611817 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0256 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2404338 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
172b00f1-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-9c2a-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
bd7fa64c-55d4-4156-b66b-59700deaf43a Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9c29-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9c2b-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-9c28-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-910c-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9c2f-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
eaaa8ffa330f7c8509bad9a1e93733302f762175 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-910d-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9c2d-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9c30-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-9c2c-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
4d9a8790-3ddd-11dd-9c2e-0050c2490048 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-33902944a26c500e",
  "prefLabel": [
    {
      "@value": "Terbutryn",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
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    },
    {
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      "@value": "2-Methylthio-4-tert-butylamino-6-ethylamino-s-triazine",
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    },
    {
      "@value": "2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE",
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    },
    {
      "@value": "2-tert-butylamino-4-ethylamino-6-methylthio-[1,3,5]triazine",
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    {
      "@value": "2-tert-Butylamino-4-ethylamino-6-methylthio-s-triazine",
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    {
      "@value": "4-Ethylamino-2-methylthio-6-tert-butylamino-1,3,5-triazine",
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      }
    },
    {
      "@value": "6-tert-Butylamino-4-ethylamino-2-methylthio-1,3,5-triazine",
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        ],
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    },
    {
      "@value": "Clarosan",
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      }
    },
    {
      "@value": "Igran",
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      }
    },
    {
      "@value": "Igran 50",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N(2)-tert-butyl-N(4)-ethyl-6-methylthio-1,3,5-triazine-2,4-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "N-(1,1-dimethylethyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-(tert-butyl)-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "N-(tert-butyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N2-(1,1-Dimethylethyl)-N4-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=886-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Prebane",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=886-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "s-Triazine, 2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-",
      "@language": "en",
      "@lang": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=886-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Saterb",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=886-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Terbutrex",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=886-50-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Terbutryne",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_44156"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "tert-Butryn",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    }
  ],
  "properties": {
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