Consensus flow list

(z)-tetradec-9-enylacetate

fo-762cbd0a19f86c5b

Identity

Type
NeutralMolecule
CAS
16725-53-4
EC
240-780-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for (z)-tetradec-9-enylacetate

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

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XXPBOEBNDHAAQH-SREVYHEPSA-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/h6-7H,3-5,8-15H2,1-2H3/b7-6-
Isomeric SMILES string chemrof:isomeric_smiles_string CCCC/C=C\CCCCCCCCOC(C)=O
IUPAC name chemrof:IUPAC_name [(Z)-tetradec-9-enyl] 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 CCCCC=CCCCCCCCCOC(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=16725-53-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:179803 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.037.058 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.4516858.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50894976 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TN9973W29F enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J650E enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA07010316 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010316 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3961 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5364714 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27290039 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
814d1002-73bc-42b4-8555-4d009fb63371 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9da8f6eb-85b5-45dc-b612-f2e75846b3b0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
dc40f6ba-62dd-46d0-b4cc-09034e3160b5 Environmental → Air → Indoor EF 3.1 kg 2
10ac43d3-ef30-4a34-8d0a-ccfab8998b8e Environmental → Air → Long-term EF 3.1 kg 0
694634d0-1246-4002-8d29-8d9080f8ec49 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f00e9d49-52f7-4c82-adc6-a35e03562359 Environmental → Air → Unknown EF 3.1 kg 2
d05aabf5-d6c2-4bf0-857f-0427c987e7bd Environmental → Ground → Agricultural EF 3.1 kg 2
80284314-fe7c-4168-a117-515fee622d92 Environmental → Ground → Non-agricultural EF 3.1 kg 2
d7ff953f-b369-45bc-a223-9600be1e5654 Environmental → Ground → Unknown EF 3.1 kg 2
6a89676f-2d7a-43e0-a25b-f3edbdbb79b4 Environmental → Water → Long-term EF 3.1 kg 0
7701d400-23ec-4d0d-b791-f5d867f0a333 Environmental → Water → Ocean EF 3.1 kg 2
a0e09dc1-e90f-41d9-ad7b-f58c9a5d26cc Environmental → Water → Surface water EF 3.1 kg 2
d028bd37-c43f-4699-a5ba-99cb6737d1a9 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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