Consensus flow list

Identity

Type
Neutral molecule
CAS
124-04-9
EC
204-673-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Adipic Acid

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WNLRTRBMVRJNCN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
IUPAC name chemrof:IUPAC_name Adipic Acid
Molecular formula chemrof:molecular_formula C6H10O4
Molecular mass chemrof:molecular_mass 146.142
Monoisotopic mass chemrof:monoisotopic_mass 146.057909, 146.05791
SMILES string chemrof:smiles_string O=C(O)CCCCC(=O)O

Known URLs

38

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=124-04-9 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=26776-26-1 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30832 enrich_references.chebi_id_link
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0369 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7021605 enrich_references.pubchem_identifier_url
drugcentral drugcentral:3474 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/3474 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=760121 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7622 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1157 enrich_references.pubchem_identifier_url
fao_who_standards fao_who_standards:174 enrich_references.chebi_xrefs
femaflavor.org https://www.femaflavor.org/flavor-library/adipic-acid enrich_references.pubchem_identifier_url
gmelin gmelin:3166 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/76A0JE0FKJ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000448 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2917.12.10.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.057I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06104 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D08839 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06104 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D08839 enrich_references.pubchem_identifier_url
knapsack knapsack:C00001178 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA01170048 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01170048 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=1970 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=ADIPATE enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76697 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:0L1 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/196 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=017696 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/22770225 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24491734 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24895214 enrich_references.chebi_xrefs
reaxys reaxys:1209788 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/17050 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q357415 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Adipic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
0868e445-77fe-4e7b-b7a9-675d7af5e6f8 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6a0dc7f4-a0c7-499a-b980-ffdd4c08829a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9459d431-7f8d-4382-b78e-82bb943f0049 Environmental → Air → Indoor EF 3.1 kg 2
eb6e73b4-ca4f-43ea-a9d4-aa159dda6516 Environmental → Air → Long-term EF 3.1 kg 0
9bf9531f-ccac-4d40-a410-953a999860c7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e1ed8123-d149-46f5-b82d-8f784f4bfaf7 Environmental → Air → Unknown EF 3.1 kg 2
65e9f20e-8c5d-4ccd-becc-7b0a0d5c510c Environmental → Ground → Agricultural EF 3.1 kg 2
804369b5-90c8-4735-8021-de2e5e57b623 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2afeeead-3b0b-4055-b075-1da06909d7df Environmental → Ground → Unknown EF 3.1 kg 2
b07e98e0-6526-4161-b2d1-717a5944427a Environmental → Water → Long-term EF 3.1 kg 0
24295063-f599-4318-ad1c-82284e8103ab Environmental → Water → Ocean EF 3.1 kg 2
45c791e5-120c-408c-a9d4-9e95cd9a7107 Environmental → Water → Surface water EF 3.1 kg 2
196ecbd5-145f-464e-80f6-fa645af20742 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e78b48dc76aa4112",
  "prefLabel": [
    {
      "@value": "Adipic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-butanedicarboxylic 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_30832"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,6-hexanedioic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_30832"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "A 108267",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:124-04-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=124-04-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acifloctin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=124-04-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acinetten",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adilactetten",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "adipinic acid",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Adipinsaeure",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Asapic",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "E355",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "hexanedioic acid",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Inipol DS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "INS No. 355",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Rhodiacid AA",
      "@language": "en",
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      "provenance": {
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
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      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
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        },
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
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      "provenance": [
        {
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        {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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    },
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    },
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "Adipic Acid": [
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      }
    }
  },
  "references": [
    {
      "@id": "drugcentral:3474",
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        "prov:wasDerivedFrom": "chebi.xrefs_urls"
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    },
    {
      "@id": "fao_who_standards:174",
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    {
      "@id": "gmelin:3166",
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