Consensus flow list

Identity

Type
NeutralMolecule
CAS
118134-30-8
EC
601-505-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for Spiroxamine

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
fungicide CHEBI:24127 A substance used to destroy fungal 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

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PUYXTUJWRLOUCW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3
IUPAC name chemrof:IUPAC_name (8-tert-Butyl-1,4-dioxa-spiro[4.5]dec-2-ylmethyl)-ethyl-propyl-amine
Molecular formula chemrof:molecular_formula C18H35NO2
Molecular mass chemrof:molecular_mass 297.483
Monoisotopic mass chemrof:monoisotopic_mass 297.266779, 297.26678
SMILES string chemrof:smiles_string CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1

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
agr agr:IND43667533 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=118134-30-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9242 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.124.360 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1034212 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL445338 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G05786IH enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OUT5YHB7BO enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0258432 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.596.319K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11124 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11124 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=50023 enrich_references.pubchem_identifier_url
patent patent:DE3735555 enrich_references.chebi_xrefs
patent patent:US4851405 enrich_references.chebi_xrefs
pesticides pesticides:spiroxamine enrich_references.chebi_xrefs
ppdb ppdb:599 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86160 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/16366700 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16526469 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17804411 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19733892 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20060629 enrich_references.chebi_xrefs
reaxys reaxys:11342560 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q1850388 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
5a9870c8-474a-4f21-9079-f731c22d903a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
cf21f0c4-628a-424f-a38a-6c0d3adc6c4d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
cfcbc419-4edd-4b39-b330-6292f79095c7 Environmental → Air → Indoor EF 3.1 kg 4
83ffebda-9efe-4838-bf7e-55dc65ae9f74 Environmental → Air → Long-term EF 3.1 kg 0
ac1bc8f9-b46e-4226-a5e8-64842b782bfb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f19407d3-d075-4f4e-9450-0aa7af15ddfe Environmental → Air → Unknown EF 3.1 kg 4
379d2362-2896-4d93-a459-c879b3bbdab5 Environmental → Ground → Agricultural EF 3.1 kg 4
22754209-cfdf-4f56-9e2b-bf5124ce6c2f Environmental → Ground → Non-agricultural EF 3.1 kg 4
3843c68300a6989897dd6bec1b095c45630c9200 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
60766219-7f51-4dfe-a33c-7bae9c118089 Environmental → Ground → Unknown EF 3.1 kg 4
9bcf1eab-fabe-4d49-9ac8-8a0fd68eeaa8 Environmental → Water → Long-term EF 3.1 kg 0
9833a811-cd35-486f-89eb-2e606cd610b0 Environmental → Water → Ocean EF 3.1 kg 4
b92ac09e-67a7-47f6-82bc-8c3ab28cb05f Environmental → Water → Surface water EF 3.1 kg 4
f10df25f-53b8-4098-8ed0-5574f31d36ac 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-14735886474a7009",
  "prefLabel": [
    {
      "@value": "Spiroxamine",
      "@language": "en",
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  "altLabel": [
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      "@value": "(8-tert-Butyl-1,4-dioxa-spiro[4.5]dec-2-ylmethyl)-ethyl-propyl-amine",
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      }
    },
    {
      "@value": "1,4-Dioxaspiro[4.5]decane-2-methanamine, 8-(1,1-dimethylethyl)-N-ethyl-N-propyl-",
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