Consensus flow list

Identity

Type
Neutral molecule
CAS
53-96-3
EC
200-188-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-acetylaminofluorene

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CZIHNRWJTSTCEX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)
IUPAC name chemrof:IUPAC_name 2-acetylaminofluorene
Molecular formula chemrof:molecular_formula C15H13NO
Molecular mass chemrof:molecular_mass 223.275
Monoisotopic mass chemrof:monoisotopic_mass 223.09971, 223.099714
SMILES string chemrof:smiles_string CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2

Known URLs

31

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=53-96-3 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/AB903210.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17356 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.172 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0039227 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=12279 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL311469 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9M98QLJ2DL enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244967 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.312D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C02778 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C02778 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-37153 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=50878 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29791 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:AFF enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/8NYVAV557GDX enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5897 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019046 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/15380103 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17434228 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21417629 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21668357 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22514719 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23536516 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24021430 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7151044 enrich_references.chebi_xrefs
reaxys reaxys:2807677 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q4382200 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2-Acetylaminofluorene enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
d86c61d4-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-a0da-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
fe4b416e-4d85-4bd7-83fd-ea56de1c30e2 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-a0d9-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-a0db-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-a0d8-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-a0d6-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-a0df-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-a0d7-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-a0dd-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-a0e0-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-a0dc-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-a0de-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
{
  "flow_object_id": "fo-83dcf42f78e2cf28",
  "prefLabel": [
    {
      "@value": "2-acetylaminofluorene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-(Acetylamino)fluorene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-AAF",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Acetamidofluorene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Acetaminofluorene",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Acetoaminofluorene",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-ACETYLAMINOFLUORENE-3-YL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-FAA",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "AAF",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetamide, N-9H-fluoren-2-yl-",
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      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetamide, N-fluoren-2-yl-",
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      }
    },
    {
      "@value": "FAA",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D015073",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(9H-fluoren-2-yl)acetamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-2-Fluorenylacetamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-9H-Fluoren-2-ylacetamide",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Acetyl-2-aminofluorene",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-fluoren-2-ylacetamide",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C15H13NO"
      ],
      "attested_by": {
        "C15H13NO": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2"
      ],
      "provenance": [
        {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "attested_by": {
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      "rdfs:label": "Molecular mass",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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        {
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        },
        {
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    },
    "https://w3id.org/chemrof/elemental_charge": {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
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