(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
fo-219da024c89aea13
Identity
- Type
- NeutralMolecule
- CAS
- 68-26-8
- EC
- 200-683-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
75- (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol
- (all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol
- 2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-
- A-Mulsal
- A-Sol
- A-Vitan
- Acon
- Agiolan
- Agoncal
- Alcovit A
- all-trans retinol
- all-trans-Retinol
- all-trans-retinyl alcohol
- all-trans-vitamin A
- all-trans-vitamin A alcohol
- all-trans-Vitamin A1
- Alphasterol
- Anatola
- Anatola A
- Anti-Infective vitamin
- Antixerophthalmic vitamin
- Aoral
- Apexol
- Apostavit
- Aquasol A Parenteral
- Aquasynth
- Atav
- Avibon
- Avitol
- Axerol
- Axerophthol
- Bentavit A
- Biosterol
- Cylasphere
- Disatabs Tabs
- Dofsol
- Dohyfral A
- Epiteliol
- Hi-A-Vita
- Lard Factor
- Myvpack
- Nio-A-Let
- Oleovitamin a
- Ophthalamin
- Plivit A
- Prepalin
- retinol
- retinol (vit A)
- Retinol 50C
- Retinol, all-trans-
- retinolum
- Retinyl A
- Riken Dry A-S 200PT
- Tagravit R 1
- Tegosphere VitA
- Testavol
- Thalasphere
- trans-retinol
- trans-Vitamin A alcohol
- Vaflol
- Veroftal
- Vi-Alpha
- Vi-Dom-A
- vitamin A
- vitamin A alcohol
- Vitamin A alcohol, all-trans-
- Vitamin A1
- vitamin A1 alcohol
- Vitamin A1 alcohol, all-trans-
- Vitamin A1, all-trans-
- Vitavel A
- Vitpex
- Vogan
- Vogan-Neu
- β-Retinol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | FPIPGXGPPPQFEQ-OVSJKPMPSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1 |
| IUPAC name chemrof:IUPAC_name | (2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol |
| Molecular formula chemrof:molecular_formula | C20H30O |
| Molecular mass chemrof:molecular_mass | 286.459 |
| Monoisotopic mass chemrof:monoisotopic_mass | 286.229666, 286.22967 |
| SMILES string chemrof:smiles_string | CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO |
Known URLs
71Where 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 |
|---|---|---|
| beilstein | beilstein:403040 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=68-26-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17336 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.621 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.031.195 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.393012.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3023556 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00162 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00162 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:2831 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/2831 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=122759 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758150 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL986 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:247497 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G2SH0XKK91 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000305 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.417F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00473 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/C17276 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00069 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D06543 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00473 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/C17276 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D06543 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00031437 | enrich_references.chebi_xrefs |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMPR01090001 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMPR01090001 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=29025 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-13524 | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C68302 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C938 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:RTL | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA451884 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/LKB2KDK4XY9M | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL986 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/445354 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=008876 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10637381 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12074187 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12221269 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12229281 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12548314 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12600856 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/1414975 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15041701 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15051608 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15531678 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15622799 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15929633 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16469975 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16507353 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16825693 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17790232 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19264891 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20697621 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2217163 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22444309 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2295828 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25478840 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/30510477 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/31484771 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7971717 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8464067 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8496140 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9155646 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9736606 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/11246 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q424976 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Retinol | enrich_references.chebi_xrefs |
| Wikipedia | https://en.wikipedia.org/wiki/Vitamin_A | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| abd6d4c2-dac6-4938-b8e0-07f51ce72701 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 178ef05a-7557-40ed-963a-276883e0f3ae | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| e2dc5918-9a88-4736-bd59-1fbdb8271a11 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| c7d258af-0189-48eb-93a7-92e0ff7baa44 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| cfb5bba5-3ac2-4d0e-96fc-ebeb13eca580 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| c29faf4e-21e5-4b62-98c1-a9497b11715e | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| c478109d-54a4-4284-a39d-01c0ceba6905 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| b809c46c-2b7a-4fba-b22f-3efe9ddd14ee | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 629fd982-b994-4045-b941-5c4b1a6a721a | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 7d02a52b-6e49-464a-9c05-9dd410dc0f58 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 133a28af-b460-456f-9af0-15c8469665e1 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 221e139e-410f-4d95-94fa-8416d36e26c2 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 8b650eda-a7d6-4648-80e9-1dd5ad389c40 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-219da024c89aea13",
"prefLabel": [
{
"@value": "(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol",
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],
"altLabel": [
{
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{
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{
"@value": "2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-",
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},
{
"@value": "A-Mulsal",
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},
{
"@value": "A-Sol",
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},
{
"@value": "A-Vitan",
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{
"@value": "Acon",
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},
{
"@value": "Agiolan",
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{
"@value": "Agoncal",
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},
{
"@value": "Alcovit A",
"@language": "en",
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},
{
"@value": "all-trans retinol",
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},
{
"@value": "all-trans-Retinol",
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}
},
{
"@value": "all-trans-retinyl alcohol",
"@language": "en",
"@lang": "en",
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}
},
{
"@value": "all-trans-vitamin A",
"@language": "en",
"@lang": "en",
"provenance": {
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}
},
{
"@value": "all-trans-vitamin A alcohol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
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"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "all-trans-Vitamin A1",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=68-26-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Alphasterol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:68-26-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=68-26-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Anatola",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:68-26-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=68-26-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Anatola A",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:68-26-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=68-26-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Anti-Infective vitamin",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Antixerophthalmic vitamin",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
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