Consensus flow list

Identity

Type
NeutralMolecule
CAS
54301-26-7
EC
427-430-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for (undec-10-enoylamino)acetic Acid

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZROLMAVYZOMHRS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H23NO3/c1-2-3-4-5-6-7-8-9-10-12(15)14-11-13(16)17/h2H,1,3-11H2,(H,14,15)(H,16,17)
IUPAC name chemrof:IUPAC_name (undec-10-enoylamino)acetic Acid
Molecular formula chemrof:molecular_formula C13H23NO3
Molecular mass chemrof:molecular_mass 241.331
Monoisotopic mass chemrof:monoisotopic_mass 241.167794
SMILES string chemrof:smiles_string C=CCCCCCCCCC(=O)NCC(=O)O

Known URLs

7

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=54301-26-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.587 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30202671 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4D20464K2J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10037355 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1426671 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27259422 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
94a51401-817a-4cf6-b927-667c7c214185 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7a3c0eb2-872d-4aff-bf8a-649fdeaebdc2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9a47826a-6c8f-4bf5-9c55-d4c25e2a8eb5 Environmental → Air → Indoor EF 3.1 kg 4
74ce6964-cdc7-4a02-a58b-f81d7a427d91 Environmental → Air → Long-term EF 3.1 kg 0
9d65ef5f-dab8-4b87-bbac-a9f2859032fd Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3a7a67b5-a5b8-4fc9-8acb-69288590f2d3 Environmental → Air → Unknown EF 3.1 kg 4
418f6357-2f41-46fe-8bd7-725c36ba014c Environmental → Ground → Agricultural EF 3.1 kg 4
833ef859-892c-4371-9663-e87c8f665eb1 Environmental → Ground → Non-agricultural EF 3.1 kg 4
3421f625-06d7-4659-9ca9-3900988e60b2 Environmental → Ground → Unknown EF 3.1 kg 4
3c546613-5c58-4c35-8026-69e1c66c1151 Environmental → Water → Long-term EF 3.1 kg 0
94b797d7-5f9a-426c-aa8c-e57f8b8f5da7 Environmental → Water → Ocean EF 3.1 kg 4
9bd304ce-c78b-450e-917e-10115262c2ea Environmental → Water → Surface water EF 3.1 kg 4
b735bf96-f0fb-4d4c-99d1-97bd6e275005 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-5cf24424cf7ace05",
  "prefLabel": [
    {
      "@value": "(undec-10-enoylamino)acetic 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": "Glycine, N-(1-oxo-10-undecen-1-yl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:54301-26-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=54301-26-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycine, N-(1-oxo-10-undecenyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:54301-26-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=54301-26-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lipacide UG",
      "@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=54301-26-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(1-Oxo-10-undecen-1-yl)glycine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C13H23NO3"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
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        },
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    },
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
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        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "C=CCCCCCCCCC(=O)NCC(=O)O"
          ]
        }
      ]
    },
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      "rdfs:label": "SMILES",
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      "provenance": [
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          "prov:wasGeneratedBy": "opsin_iupac",
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        },
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
        "InChI=1S/C13H23NO3/c1-2-3-4-5-6-7-8-9-10-12(15)14-11-13(16)17/h2H,1,3-11H2,(H,14,15)(H,16,17)"
      ],
      "provenance": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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        ]
      },
      "attested_by": {
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          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "C=CCCCCCCCCC(=O)NCC(=O)O"
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      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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          ]
        },
        {
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          "prov:hadPrimarySource": [
            "C=CCCCCCCCCC(=O)NCC(=O)O"
          ]
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      ],
      "attested_by": {
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    }
  },
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  ],
  "created_from": {
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    "seed_uuid": "3421f625-06d7-4659-9ca9-3900988e60b2",
    "seed_source": "EF 3.1",
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  },
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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