Consensus flow list

N-octadecyldocos-13-enamide

fo-afe21631f6cdf281

Identity

Type
NeutralMolecule
CAS
10094-45-8
EC
233-226-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for N-octadecyldocos-13-enamide

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

Alternative labels

18

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FUSNPOOETKRESL-ZPHPHTNESA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C40H79NO/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(42)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-39H2,1-2H3,(H,41,42)/b19-17-
Isomeric SMILES string chemrof:isomeric_smiles_string CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCC
IUPAC name chemrof:IUPAC_name (13Z)-N-Octadecyl-13-docosenamide
Molecular formula chemrof:molecular_formula C40H79NO
Molecular mass chemrof:molecular_mass 590.078
Monoisotopic mass chemrof:monoisotopic_mass 589.616166
SMILES string chemrof:smiles_string CCCCCCCCC=CCCCCCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCC

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=10094-45-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.030.192 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20884445 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J5IF4W9060 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J157.801D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6436363 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27281224 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bdb4c991-b6a7-4e33-b70f-781f0e17e20b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d18a0773-1d69-4c81-a30e-84bd57671995 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c28344a9-5c4d-4d3c-bd0f-0159a4ea8ecf Environmental → Air → Indoor EF 3.1 kg 2
f54dbf43-0ab4-45f7-aed2-d6d790578281 Environmental → Air → Long-term EF 3.1 kg 0
e4ddb608-3d1e-488f-8739-cf343ff4965d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
00734b6e-93b2-4b6b-a47e-512bc5e49720 Environmental → Air → Unknown EF 3.1 kg 2
499d856c-eeb9-4603-be5c-e2f280de61cf Environmental → Ground → Agricultural EF 3.1 kg 2
b9693da5-b7e6-4b6f-8c2a-a10e550b1431 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6c1ec198-6f2e-40ad-b2cb-48df0460f12c Environmental → Ground → Unknown EF 3.1 kg 2
b65cf433-42a1-41f0-aee8-be5d7e6472ba Environmental → Water → Long-term EF 3.1 kg 0
36f4514c-c76e-4838-928b-2f5a249e30f3 Environmental → Water → Ocean EF 3.1 kg 2
2df32a89-bfae-4006-8b6b-12b4ecb0d7ef Environmental → Water → Surface water EF 3.1 kg 2
0bfc2ab3-ba8c-41b4-afe0-12f40ddd4312 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 
{
  "flow_object_id": "fo-afe21631f6cdf281",
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