Consensus flow list

(e)-7,11-dimethyl-3-methylenedodeca-1,6,10-triene

fo-2fe0555075769261

Identity

Type
NeutralMolecule
CAS
18794-84-8
EC
242-582-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for (e)-7,11-dimethyl-3-methylenedodeca-1,6,10-triene

This substance carries 3 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 JSNRRGGBADWTMC-NTCAYCPXSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3, InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+
Isomeric SMILES string chemrof:isomeric_smiles_string C=CC(=C)CC/C=C(C)CCC=C(C)C, CC(=CCC/C(=C/CCC(=C)C=C)/C)C
IUPAC name chemrof:IUPAC_name (6E)-7,11-dimethyl-3-methylene-dodeca-1,6,10-triene, (6E)-7,11-dimethyl-3-methylenedodeca-1,6,10-triene, (6E)-7,11-dimethyl-3-methylidene-dodeca-1,6,10-triene, (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
Molecular formula chemrof:molecular_formula C15H24
Molecular mass chemrof:molecular_mass 204.357
Monoisotopic mass chemrof:monoisotopic_mass 204.1878, 204.187801
SMILES string chemrof:smiles_string C=CC(=C)CCC=C(C)CCC=C(C)C

Known URLs

31

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
agr agr:IND23333888 enrich_references.chebi_xrefs
agr agr:IND81037384 enrich_references.chebi_xrefs
bpdb bpdb:1386 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1207091-65-3 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=18794-84-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:10418 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.038.695 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9047049 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E5STW643HU enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0035913 enrich_references.chebi_xrefs
HMDB https://hmdb.ca/metabolites/HMDB0062763 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.900B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J309.360C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C09666 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C09666 enrich_references.pubchem_identifier_url
knapsack knapsack:C00003131 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA11000040 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=47117 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=4741 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-8239 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5281517 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/12481088 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1495034 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15260221 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15586262 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17066793 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19328854 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22178597 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22427877 enrich_references.chebi_xrefs
reaxys reaxys:1721510 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27108631 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b3e57f12-9d84-458d-9339-9e7b1644814f Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bfeab625-a76f-4b65-84d3-b2a2061c8f0a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2e0f5e35-6e38-4e59-9682-f7a58d00d0f1 Environmental → Air → Indoor EF 3.1 kg 4
43449cee-92cd-41c2-8ba4-20f82b9f2cb8 Environmental → Air → Long-term EF 3.1 kg 0
9dbcd1ac-9348-4a8c-aa41-af287fe546d7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1918d318-0702-4db1-95f0-ac168b36e26f Environmental → Air → Unknown EF 3.1 kg 4
74f656fa-6d10-429e-90ed-5bfb10200df4 Environmental → Ground → Agricultural EF 3.1 kg 4
c2fb2b14-bc03-4b58-b6d5-69acc054c344 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d0391e7d-85bf-4c6e-a4c8-53e585c48abf Environmental → Ground → Unknown EF 3.1 kg 4
d3f55ccf-cb34-41c9-a6e4-f6b95815810b Environmental → Water → Long-term EF 3.1 kg 0
2c795e97-217b-44dc-9b1b-a6d941ee05aa Environmental → Water → Ocean EF 3.1 kg 4
443a5df2-3784-469d-bb1a-e201ba9af485 Environmental → Water → Surface water EF 3.1 kg 4
dad38cb0-bed1-44b7-a429-605fedcb15d2 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 
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