Consensus flow list

N-octadec-9-en-1-ylhexadecanamide

fo-5fc3430fd08269c8

Identity

Type
Neutral molecule
CAS
16260-09-6
EC
240-367-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for N-octadec-9-en-1-ylhexadecanamide

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

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VMRGZRVLZQSNHC-ZCXUNETKSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C34H67NO/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-35-34(36)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-33H2,1-2H3,(H,35,36)/b18-17-
Isomeric SMILES string chemrof:isomeric_smiles_string CCCCCCCC/C=C\CCCCCCCCNC(=O)CCCCCCCCCCCCCCC
IUPAC name chemrof:IUPAC_name N-(9Z)-9-Octadecen-1-ylhexadecanamide
Molecular formula chemrof:molecular_formula C34H67NO
Molecular mass chemrof:molecular_mass 505.916
Monoisotopic mass chemrof:monoisotopic_mass 505.522266
SMILES string chemrof:smiles_string CCCCCCCCC=CCCCCCCCCNC(=O)CCCCCCCCCCCCCCC

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=16260-09-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.036.682 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00893434 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DD20CXT2D9 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J157.802B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6436436 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27276333 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
dc08df7b-2e86-404b-b8c2-53505ae88b83 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fa1fd98d-7865-427d-a162-95fbac06d33a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
86f6cef3-e4ff-4a0a-8ab8-739a847b6788 Environmental → Air → Indoor EF 3.1 kg 2
65ac789d-d340-4c24-bae7-6af74e28eff3 Environmental → Air → Long-term EF 3.1 kg 0
706907f2-b726-4732-a7dc-3b4c838d0c18 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f83d8e9f-4e3d-4cbb-bf16-27d0fa9c3f38 Environmental → Air → Unknown EF 3.1 kg 2
fb466198-0b5e-4da6-848f-959d14e538a7 Environmental → Ground → Agricultural EF 3.1 kg 2
274113d0-cc2e-41fe-9aa7-00f26153fcc6 Environmental → Ground → Non-agricultural EF 3.1 kg 2
766c54d5-a1fd-4eae-b518-8ca5606ccf4b Environmental → Ground → Unknown EF 3.1 kg 2
4271c783-112d-4ec7-be31-4d7d82ae9a44 Environmental → Water → Long-term EF 3.1 kg 0
f55c2937-dd84-437d-be4c-99e9d0fc3b4e Environmental → Water → Ocean EF 3.1 kg 2
6205c7f7-94b7-4ede-81a2-95fd0fd292ae Environmental → Water → Surface water EF 3.1 kg 2
fb4bae7a-cdbf-49fa-8eb3-c96578a34d5c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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        "https://echa.europa.eu/search-for-chemicals?query=240-367-6"
      ],
      "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,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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