Benalaxyl

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
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

(Dimethylphenyl)-N-(phenylacetyl)-DL-alanine methyl ester
(RS)-benalaxyl
Alanine, N-(2,6-dimethylphenyl)-N-(2-phenylacetyl)-, methyl ester
Alanine, N-(2,6-dimethylphenyl)-N-(phenylacetyl)-, methyl ester
DL-Alanine, N-(2,6-dimethylphenyl)-N-(phenylacetyl)-, methyl ester
Galben
Galben R 4-33 Blu
Methyl N-(2,6-dimethylphenyl)-n-(phenylacetyl)-dl-alaninate
methyl N-(phenylacetyl)-N-(2,6-xylyl)-DL-alaninate
Methyl N-phenylacetyl-N-2,6-xylyl-DL-alaninate
rac-benalaxyl
rac-methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate
racemic benalaxyl

Property	Value
InChI2D key string chemrof:inchi2d_key_string	CJPQIRJHIZUAQP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3
IUPAC name chemrof:IUPAC_name	Methyl N-phenylacetyl-N-2,6-xylyl-DL-alaninate
Molecular formula chemrof:molecular_formula	C20H23NO3
Molecular mass chemrof:molecular_mass	325.408
Monoisotopic mass chemrof:monoisotopic_mass	325.167794
SMILES string chemrof:smiles_string	COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C

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
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=71626-11-4	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3009	enrich_references.chebi_id_link
KEGG	https://www.genome.jp/entry/C10929	enrich_references.chebi_xrefs
pesticides	pesticides:benalaxyl	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/20544700	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/21272886	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/22169712	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/23638897	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/24000806	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/24485313	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/25065825	enrich_references.chebi_xrefs
reaxys	reaxys:3001587	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
3da9d632-0d7f-4cdb-a6cb-2987e3bded9d	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
281d7024-48ed-4999-9664-bbfffa71a7ed	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
302e0433-41a5-4038-8507-022706bad27f	Environmental → Air → Indoor	EF 3.1	kg	4
7311f65b-4dd4-4183-9dff-047822d1dafd	Environmental → Air → Long-term	EF 3.1	kg	0
963886df-29f8-4a9f-b617-d0fbc2aec79c	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
d847cb6e-56ed-49f7-9e48-86e35a1368a7	Environmental → Air → Unknown	EF 3.1	kg	4
a1299edc-49e8-4cdd-a9e7-589b459ae56e	Environmental → Ground → Agricultural	EF 3.1	kg	4
9a7526e9-e825-45a1-a156-444c3d7880b0	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
90cb57d9732f2318d596420c83a4fec23eb045f5	Environmental → Ground → Silvicultural	ecoinvent algorithm addition	kg	0
25c12f5d-00a2-4c7c-b5bf-265696f104bc	Environmental → Ground → Unknown	EF 3.1	kg	4
c39c365d-9eb3-4ac4-bf45-b85d2a15951f	Environmental → Water → Long-term	EF 3.1	kg	0
118eef34-bf38-45c3-81e8-812ae03ca004	Environmental → Water → Ocean	EF 3.1	kg	4
a8053a7f7e381fcff83f8bc0695890914652eb61	Environmental → Water → River	agribalyse algorithm addition	kg	0
9ca1e560-c748-40c9-8259-e370a73510ef	Environmental → Water → Surface water	EF 3.1	kg	4
32aa6dda-55d4-4dda-b819-6d7e34d55ad7	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

{
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      "@value": "Benalaxyl",
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  ],
  "created_from": {
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    "seed_uuid": "118eef34-bf38-45c3-81e8-812ae03ca004",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    }
  },
  "classifications": {
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      "@value": [
        "71626-11-4"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=71626-11-4"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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          "@id": "https://commonchemistry.cas.org/detail?cas_rn=71626-11-4"
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      ],
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    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
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      ],
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  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A racemate comprising equal amounts of (R)- and (S)-benalaxyl.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
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      }
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  ],
  "@type": [
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  ],
  "http://purl.obolibrary.org/obo/RO_0000087": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24127",
      "rdfs:label": "fungicide",
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      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
      "provenance": {
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      }
    }
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Benalaxyl

Identity

Structure

What it is used for

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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