Consensus flow list

Erucamide

fo-b7311cbe4b77e637

Identity

Type
Neutral molecule
CAS
112-84-5
EC
204-009-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Erucamide

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

70

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UAUDZVJPLUQNMU-KTKRTIGZSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-
Isomeric SMILES string chemrof:isomeric_smiles_string CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O
IUPAC name chemrof:IUPAC_name Erucamide
Molecular formula chemrof:molecular_formula C22H43NO
Molecular mass chemrof:molecular_mass 337.592
Monoisotopic mass chemrof:monoisotopic_mass 337.33446, 337.334465
SMILES string chemrof:smiles_string CCCCCCCCC=CCCCCCCCCCCCC(N)=O

Known URLs

26

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=112-84-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:142245 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.645 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4026929 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1232565 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0V89VY25BN enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.612I enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA08010028 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA08010028 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=73596 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:ERU enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5365371 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11128635 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16716333 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19470712 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20236316 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24083583 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25902635 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28082151 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29996001 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30110203 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3014668 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30348385 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7770779 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27231146 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Erucamide enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
67ffbf4a-a62f-4f7c-9783-2cfc0c55f32e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a8d6bd3b-5d71-4fbc-835e-fb7e4c4b66e6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c1ed7705-7674-47b7-9ebe-df39d81e1091 Environmental → Air → Indoor EF 3.1 kg 2
61ce7b0c-b70c-4550-b867-ff24443f6fdc Environmental → Air → Long-term EF 3.1 kg 0
59478034-1e75-40b2-b316-c36851f9ce82 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
92981b3f-8620-4ba0-b46c-a0e8851a9489 Environmental → Air → Unknown EF 3.1 kg 2
f95f35be-11c3-4ef7-b183-3dec6ef1200b Environmental → Ground → Agricultural EF 3.1 kg 2
032a7ecd-4e72-4faf-9542-f5851d3dfcec Environmental → Ground → Non-agricultural EF 3.1 kg 2
93643dc7-22d9-47e5-9b4a-6c6a3ff211c8 Environmental → Ground → Unknown EF 3.1 kg 2
8b45ff8c-024d-4e04-9dfa-0132e0b58830 Environmental → Water → Long-term EF 3.1 kg 0
efdcc42e-5e30-4dbf-9410-b0f3d3649a71 Environmental → Water → Ocean EF 3.1 kg 2
19bf7818-fdd1-471c-a0d5-6b4ba34e3874 Environmental → Water → Surface water EF 3.1 kg 2
845a1b07-ddfa-468f-8110-ea54b950be8c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-b7311cbe4b77e637",
  "prefLabel": [
    {
      "@value": "Erucamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(13Z)-13-docosenamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(13Z)-docos-13-enamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(13Z)-docosenamide",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(Z)-13-docosenamide",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(z)-docos-13-enamide",
      "@language": "en",
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      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "13-Docosenamide, (13Z)-",
      "@language": "en",
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    },
    {
      "@value": "13-Docosenamide, (Z)-",
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    {
      "@value": "201HK",
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      "@value": "Adogen 58",
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    {
      "@value": "Alflow 10",
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    },
    {
      "@value": "Alflow P 10",
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    },
    {
      "@value": "Amide E",
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      }
    },
    {
      "@value": "Armid E",
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      }
    },
    {
      "@value": "Armoslip E",
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        ],
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      }
    },
    {
      "@value": "Armoslip EPX",
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    },
    {
      "@value": "Armoslip EXP",
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        ],
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      }
    },
    {
      "@value": "Atmer SA 1753",
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    },
    {
      "@value": "Atmer SA 1753FD",
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          "https://commonchemistry.cas.org/detail?cas_rn=112-84-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CESA PPA 0050079",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CESA-slip PP 42161",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chamide SEA",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chemstat HTSA 22",
      "@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=112-84-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chemstat HTSA 22-20M",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=112-84-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CHMP E 50",
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=112-84-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "cis-13-docosenamide",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Crodamide E",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=112-84-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Crodamide ER",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=112-84-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Crodamide ER-BE",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-84-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Crodamide ER-CH",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=112-84-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Crodamide ER-CH-BE",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Crodamide ER-CH-BE-SI",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Crodamide ER-CH-MB-SI",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Crodamide ER-MB-GD",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=112-84-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diamid L 200",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=112-84-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "E 828262",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ER-CH",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
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