Brightway Flows 1.0
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Aminocaproic Acid

fo-554e56a9556dcd68

Identity

Type
Molecular anion
CAS
60-32-2
EC
200-469-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Aminocaproic Acid

Alternative labels

60

Properties

PropertyValue
Elemental charge chemrof:elemental_charge -1, 0
InChI2D key string chemrof:inchi2d_key_string SLXKOJJOQWFEFD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
IUPAC name chemrof:IUPAC_name 6-AMINOHEXANOIC ACID
Molecular formula chemrof:molecular_formula C6H12NO2, C6H13NO2
Molecular mass chemrof:molecular_mass 130.167, 131.175
Monoisotopic mass chemrof:monoisotopic_mass 130.08735, 131.094629, 131.09463
SMILES string chemrof:smiles_string NCCCCCC(=O)O

Known URLs

56

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=1319-82-0 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=60-32-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16586 enrich_references.chebi_id_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32396 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.427 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0020070 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00513 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00513 enrich_references.pubchem_identifier_url
drugcentral drugcentral:163 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/163 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=212532 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=26154 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=400230 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=755867 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1046 enrich_references.pubchem_identifier_url
gmelin gmelin:101724 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U6F3787206 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0001901 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.398F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C02378 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00160 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C02378 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00160 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-5733 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA01100035 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01100035 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=1860 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-884 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47391 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:ACA enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA164774947 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/5KTUQ68GTNR8 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1046 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/564 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018631 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10930630 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12141409 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14050038 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19086806 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21904257 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22339947 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22770225 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22847395 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22995453 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23187124 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23213034 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23353035 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23434921 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23921838 enrich_references.chebi_xrefs
reaxys reaxys:4373415 enrich_references.chebi_xrefs
reaxys reaxys:906872 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/99 enrich_references.pubchem_identifier_url
umbbd.compound umbbd.compound:c0433 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q106345491 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q255968 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Aminocaproic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
d62cffee-268f-4d50-82cc-fad9a55a18e2 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
c878cbb6-9e8b-4d6f-a571-0cf27c75f6df Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
bebeb065-37a7-42ad-83cc-6958c7cb18f6 Environmental → Air → Indoor EF 3.1 kg 0
f867c360-800c-4ea6-a3cd-eeda6186da29 Environmental → Air → Long-term EF 3.1 kg 0
696dd282-8237-41e7-a732-b4d8fdda0953 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
173128e3-f52f-4864-94fa-dbb77d78ddfe Environmental → Air → Unknown EF 3.1 kg 0
9b9ec7d1-ea0d-4b7a-b1ac-1f1104bbe26e Environmental → Ground → Agricultural EF 3.1 kg 0
6140cc53-d61d-4ac9-8bb2-35ea5f9648ef Environmental → Ground → Non-agricultural EF 3.1 kg 0
7dd15d20-3500-41e6-88b2-c95be53c6058 Environmental → Ground → Unknown EF 3.1 kg 0
2c291714-0422-447b-9a33-9c9a07558fc2 Environmental → Water → Long-term EF 3.1 kg 0
20e3ff0c-0b96-4682-9554-72a0b75d78fc Environmental → Water → Ocean EF 3.1 kg 0
03d6fc3c-3589-4d8b-9f11-0e80d3dc991a Environmental → Water → Surface water EF 3.1 kg 0
9c614a6b-041e-46ae-b541-d465265be45e Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
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      }
    },
    {
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    },
    {
      "@value": "Acepramin",
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    },
    {
      "@value": "Acepramine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "acide aminocaproque",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "acido aminocaproico",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "acidum aminocaproicum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "http://purl.obolibrary.org/obo/CHEBI_16586"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Acikaprin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-32-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ACS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-32-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Afibrin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-32-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-32-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ahx",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16586"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Amicar",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16586"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Amikar",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16586"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "AMINOCAPROIC",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_16586"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "aminohexanoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_16586"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Aminokapron",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-32-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-32-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "AN 0064-1",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-32-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-32-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Caplamin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-32-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-32-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Capralense",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16586"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Capramol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16586"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Caproamin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16586"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Caprocid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16586"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Caproic acid, ε-amino-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-32-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-32-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Caprolisin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16586"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "EACA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16586"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "EACS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-32-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-32-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Epsamon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16586"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Epsicaprom",
      "@language": "en",
      "@lang": "en",
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      "reason": "",
      "types": [
        "https://w3id.org/chemrof/MolecularAnion"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.polyatomic_ion"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "60-32-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=60-32-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=60-32-2"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "200-469-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=200-469-3"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "An amino-acid anion that is the conjugate base of 6-aminohexanoic acid.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_32396"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    },
    {
      "@value": "An ε-amino acid comprising hexanoic acid carrying an amino substituent at position C-6. Used to control postoperative bleeding, and to treat overdose effects of the thrombolytic agents streptokinase and tissue plasminogen activator.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_16586"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/MolecularAnion"
  ]
}

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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

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