Tricyclene
fo-910c078f275f8018
Identity
- Type
- Neutral molecule
- CAS
- 508-32-7
- EC
- 208-083-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
5- 1,7,7-trimethyltricyclo[2.2.1.0(2,6)]heptane
- 1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
- Cyclene
- Teresantanane
- Tricyclo[2.2.1.02,6]heptane, 1,7,7-trimethyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | RRBYUSWBLVXTQN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 1,7,7-trimethyltricyclo[2.2.1.0(2,6)]heptane |
| Molecular formula chemrof:molecular_formula | C10H16 |
| Molecular mass chemrof:molecular_mass | 136.238 |
| Monoisotopic mass chemrof:monoisotopic_mass | 136.1252, 136.125201 |
| SMILES string chemrof:smiles_string | CC1(C)C2CC3C(C2)C31C |
Known URLs
16Where 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=508-32-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:64266 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.007.349 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID90858714 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=86978 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SA0ARA1GHB | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0038121 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.236G | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/C20241 | enrich_references.pubchem_identifier_url |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMPR0102130001 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMPR0102130001 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=28195 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-4902 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/79035 | enrich_references.pubchem_compound |
| reaxys | reaxys:1901153 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27133173 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 2327d2b2-d4fe-4752-ad1e-2fe557a5984f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 6e72bd40-fba1-45a3-b059-6ac1415e8a7c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 1a6d8f01-33a3-4fa9-88fd-55b8319014a1 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 7ed038f6-674c-4248-9474-f7bfd80e6dcb | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b8cdb4ab-659c-4071-8074-9fe63e48e9e1 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 2cf71b63-3248-414b-a57f-7f87e6a2fe49 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| b8474796-741e-41f6-b890-546623a4c004 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 70050f24-08e9-49d3-8619-9aa7aaadc9ae | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| a3664353-96ea-4174-80cb-d3435f7bb2d3 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| c5dc8a18-d332-4f13-8eb6-d766f32c421d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 94b13a74-5b87-41ec-a091-59ed0a93e104 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| dc20ee98-f26d-4ae1-b58a-9eabfb631c4c | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 8195d28c-0376-43ab-84ff-26a5948e176a | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"508-32-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=508-32-7"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=508-32-7"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"208-083-7"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=208-083-7"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A monoterpene that is tricyclo[2.2.1.02,6]heptane bearing a three additional methyl substituents (one at position 1 and two at position 7).",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_64266"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works