Consensus flow list

Identity

Type
NeutralMolecule
CAS
110-93-0
EC
203-816-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 6-methylhept-5-en-2-one

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UHEPJGULSIKKTP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
IUPAC name chemrof:IUPAC_name 6-methylhept-5-en-2-one
Molecular formula chemrof:molecular_formula C8H14O
Molecular mass chemrof:molecular_mass 126.199
Monoisotopic mass chemrof:monoisotopic_mass 126.104465, 126.10447
SMILES string chemrof:smiles_string CC(=O)CCC=C(C)C

Known URLs

24

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=110-93-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16310 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.470 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.356 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5021629 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=15294 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66569 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL46340 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/6-methyl-5-hepten-2-one enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/448353S93V enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0035915 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J58.156I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07287 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07287 enrich_references.pubchem_identifier_url
knapsack knapsack:C00011400 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA12000039 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5445 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9862 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=540517 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23590828 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24627092 enrich_references.chebi_xrefs
reaxys reaxys:1741705 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q3209146 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Sulcatone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e35736c7-0d23-4c73-8dd6-58feaa8ae7b4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
11730716-0b32-4c7e-8a83-3aed08bac471 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
dab1a778-67ff-43be-9cb7-29f2b43a85d1 Environmental → Air → Indoor EF 3.1 kg 4
487450b2-8c6b-4e5a-ae94-4bc3b35df006 Environmental → Air → Long-term EF 3.1 kg 0
019336bd-eb5b-4add-b0bd-488c10cacdf8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c662c97f-aaa0-4fb9-957d-666f232f6c71 Environmental → Air → Unknown EF 3.1 kg 4
5c16fd8c-ff00-4de5-8bf4-106c4a3af5be Environmental → Ground → Agricultural EF 3.1 kg 4
9a779a8a-02e0-4dab-a8f8-08e33202b7b3 Environmental → Ground → Non-agricultural EF 3.1 kg 4
374ad129-4369-447c-92b5-304efbf8d7d9 Environmental → Ground → Unknown EF 3.1 kg 4
e276ad37-b7a4-4371-8098-dca189d089df Environmental → Water → Long-term EF 3.1 kg 0
e7e720ce-ce16-438f-8bed-ab49ed2bd6d2 Environmental → Water → Ocean EF 3.1 kg 4
f5541227-dcbf-47bb-a059-3202668806e4 Environmental → Water → Surface water EF 3.1 kg 4
820a3923-1f7a-4e15-90d1-3185cf1beb0c Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-0568a93312e45407",
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "2-Methyl-2-hepten-6-one",
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      "@lang": "en",
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    },
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      "@value": "2-Methyl-6-oxo-2-heptene",
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      "@value": "5-Hepten-2-one, 6-methyl-",
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    },
    {
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    },
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