Consensus flow list

Identity

Type
ChemicalSalt
CAS
125401-92-5
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Bispyribac-sodium

What it is used for

4

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
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

15

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FUHMZYWBSHTEDZ-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1
IUPAC name chemrof:IUPAC_name sodium 2,6-bis(4,6-dimethoxy-2-pyrimidinyloxy)benzoate
Molecular formula chemrof:molecular_formula C19H17N4NaO8
Molecular mass chemrof:molecular_mass 452.355
Monoisotopic mass chemrof:monoisotopic_mass 452.094408
SMILES string chemrof:smiles_string COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)[O-])n1.[Na+]

Known URLs

38

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
agr agr:IND44263842 enrich_references.chebi_xrefs
agr agr:IND44288083 enrich_references.chebi_xrefs
agr agr:IND605254691 enrich_references.chebi_xrefs
agr agr:IND606235677 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=125401-92-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81757 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.122.190 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7034383 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188418 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4NVB39F4NF enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J653.648D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18453 enrich_references.chebi_xrefs
patent patent:CN101265235 enrich_references.chebi_xrefs
patent patent:CN101828562 enrich_references.chebi_xrefs
pesticides pesticides:/derivatives/bispyribac-sodium enrich_references.chebi_xrefs
ppdb ppdb:83 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23682789 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/20809548 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21298252 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23650123 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23793538 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25143195 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25381585 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25577693 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25659307 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29048835 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29063826 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29427153 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29438823 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30550967 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30744894 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30978631 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31132619 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31446602 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31816497 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31954925 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32970224 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q17122484 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
64b1ce63-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9d44-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9e3fb9b2-21cc-4f68-938f-159046a665a7 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9d43-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9d45-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9d42-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-b179-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9d49-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
bcf6701ebb23d9bcbe12a98ee201b15da14468b0 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-9d41-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9d47-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9d4a-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-9d46-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-9d48-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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