Consensus flow list

(e)-tetradec-11-enylacetate

fo-b95aed301989d6aa

Identity

Type
NeutralMolecule
CAS
33189-72-9
EC
251-401-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for (e)-tetradec-11-enylacetate

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

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YJINQJFQLQIYHX-SNAWJCMRSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5H,3,6-15H2,1-2H3/b5-4+
Isomeric SMILES string chemrof:isomeric_smiles_string CC/C=C/CCCCCCCCCCOC(C)=O
IUPAC name chemrof:IUPAC_name (11E)-11-Tetradecen-1-ol acetate
Molecular formula chemrof:molecular_formula C16H30O2
Molecular mass chemrof:molecular_mass 254.414
Monoisotopic mass chemrof:monoisotopic_mass 254.22458
SMILES string chemrof:smiles_string CCC=CCCCCCCCCCCOC(C)=O

Known URLs

12

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=33189-72-9 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:179817 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.046.714 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1035286 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182789 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UXJ691Z784 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J676I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J891.997F enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010285 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3930 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5367650 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27291316 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1fd8e13f-290e-458c-9e52-8bb6f8d72dd9 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b30cd874-08bf-42a6-8de4-aea21c907baf Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
608f2323-bb6e-45b2-83da-b074e63db265 Environmental → Air → Indoor EF 3.1 kg 2
c8a15624-53cf-41bf-92e3-4e327c664b34 Environmental → Air → Long-term EF 3.1 kg 0
d7da220f-a426-4c3b-ae21-4ede67c75317 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5498a07f-2c60-41ad-a277-4543d292b186 Environmental → Air → Unknown EF 3.1 kg 2
ae8f674d-80f8-4c6d-9661-39cebd83fe23 Environmental → Ground → Agricultural EF 3.1 kg 2
4aa3fe03-b8dc-4803-9bdb-bbdb7a65b376 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c2a05810-2783-4fc7-a8da-df2afa4d9e34 Environmental → Ground → Unknown EF 3.1 kg 2
d2e60c83-bf75-4deb-ab7b-004d7b62dd17 Environmental → Water → Long-term EF 3.1 kg 0
857756a7-946f-48d7-9082-182732572731 Environmental → Water → Ocean EF 3.1 kg 2
3bad29dc-fd55-42ed-9c46-c2aa8314d06e Environmental → Water → Surface water EF 3.1 kg 2
59bc5f1c-5c74-4902-a8cf-412669e816b6 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-b95aed301989d6aa",
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  "altLabel": [
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