Consensus flow list

Identity

Type
ChemicalSalt
CAS
127277-53-6
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for Prohexadione-calcium

What it is used for

2

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
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. ChEBI

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NLKUPINTOLSSLD-UHFFFAOYSA-L, QKWLAUAUUGXSSE-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/C10H12O5.Ca/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h5,12H,2-4H2,1H3,(H,14,15);/q;+2/p-2
IUPAC name chemrof:IUPAC_name calcium 3-oxido-5-oxo-4-propanoylcyclohex-3-ene-1-carboxylate
Molecular formula chemrof:molecular_formula C10H10CaO5, C10H10O5.Ca
SMILES string chemrof:smiles_string CCC(=O)C1=C([O-])CC(C(=O)[O-])CC1=O.[Ca+2]

Known URLs

17

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:IND44016834 enrich_references.chebi_xrefs
agr agr:IND44197703 enrich_references.chebi_xrefs
agr agr:IND500594868 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=127277-53-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137425 enrich_references.chebi_id_link
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U279R462WB enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-15293 enrich_references.chebi_xrefs
pesticides pesticides:derivatives/prohexadione-calcium enrich_references.chebi_xrefs
ppdb ppdb:539 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12001831 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/21598976 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23293882 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24128475 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24426014 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28581737 enrich_references.chebi_xrefs
reaxys reaxys:9738673 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q15632719 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
f6476d4d-fdf8-47c1-8931-da35e9200516 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
86932164-0391-4116-b56b-7fec12264865 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4f265d88-567d-4626-a6cf-0d1a02d83843 Environmental → Air → Indoor EF 3.1 kg 4
27d7272a-497c-46c6-801c-722bf2efa62c Environmental → Air → Long-term EF 3.1 kg 0
b66a7b6f-aa60-4ba7-9fc4-df75e2da5810 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
462e723e-5730-4ba3-94ce-7a2850c3be1c Environmental → Air → Unknown EF 3.1 kg 4
ba727a53-2c10-4993-b4a6-18b6257fe74e Environmental → Ground → Agricultural EF 3.1 kg 4
67fb54c2-7f3b-4e5c-97ca-1ce2069c940f Environmental → Ground → Non-agricultural EF 3.1 kg 4
cd4c692d8cd2a705f35c64b9e556dd8196b2cd7d Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
9a0b36ea-7ab3-441b-9de0-401773c8f585 Environmental → Ground → Unknown EF 3.1 kg 4
befd620c-1a2e-4a0d-a86b-67dad5d41662 Environmental → Water → Long-term EF 3.1 kg 0
c2245996-29e1-43c1-b2d8-8c4ddd11efb3 Environmental → Water → Ocean EF 3.1 kg 4
04b3d475-5498-42dc-8858-09912779e32d Environmental → Water → Surface water EF 3.1 kg 4
e1648438-1ecb-4d28-becb-7b053e245c8f Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ca367dbcaf262c12",
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  "altLabel": [
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      "@value": "A 1699DF",
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