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CHEBI:136921 - 1-isothiocyanato-6-(methylsulfanyl)hexane
| Formula | C8H15NS2 |
| Net Charge | 0 |
| Average Mass | 189.349 |
| Monoisotopic Mass | 189.06459 |
| SMILES | CSCCCCCCN=C=S |
| InChI | InChI=1S/C8H15NS2/c1-11-7-5-3-2-4-6-9-8-10/h2-7H2,1H3 |
| InChIKey | YIBXPFAXPUDDTK-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Arabidopsis thaliana (ncbitaxon:3702) | |||
| - | MetaboLights (MTBLS272) | ||
| - | PubMed (27656890) | ||
| Wasabia japonica (ncbitaxon:75806) | - | PubMed (23390006) |
| Roles Classification |
|---|
| Biological Roles: | Arabidopsis thaliana metabolite Any plant metabolite that is produced by Arabidopsis thaliana. EC 4.1.1.17 (ornithine decarboxylase) inhibitor An EC 4.1.1.* (carboxy-lyase) inhibitor that interferes with the action of ornithine decarboxylase (EC 4.1.1.17). |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-isothiocyanato-6-(methylsulfanyl)hexane (CHEBI:136921) has parent hydride hexane (CHEBI:29021) |
| 1-isothiocyanato-6-(methylsulfanyl)hexane (CHEBI:136921) has role Arabidopsis thaliana metabolite (CHEBI:140602) |
| 1-isothiocyanato-6-(methylsulfanyl)hexane (CHEBI:136921) has role antineoplastic agent (CHEBI:35610) |
| 1-isothiocyanato-6-(methylsulfanyl)hexane (CHEBI:136921) has role EC 4.1.1.17 (ornithine decarboxylase) inhibitor (CHEBI:139556) |
| 1-isothiocyanato-6-(methylsulfanyl)hexane (CHEBI:136921) has role neuroprotective agent (CHEBI:63726) |
| 1-isothiocyanato-6-(methylsulfanyl)hexane (CHEBI:136921) is a isothiocyanate (CHEBI:52221) |
| 1-isothiocyanato-6-(methylsulfanyl)hexane (CHEBI:136921) is a methyl sulfide (CHEBI:86315) |
| IUPAC Name |
|---|
| 1-isothiocyanato-6-(methylsulfanyl)hexane |
| Synonyms | Source |
|---|---|
| 6-isothiocyanatohexyl methyl sulfide | ChEBI |
| 1-Isothiocyanato-6-(methylthio)hexane | ChemIDplus |
| 6-(Methylthio)hexyl isothiocyanate | ChemIDplus |
| (6-Isothiocyanatohexyl)(methyl)sulfane | NIST Chemistry WebBook |
| 6-Methylthiohexyl isothiocyanate | NIST Chemistry WebBook |
| Lesquerellin | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| 144844 | ChemSpider |
| HMDB0038461 | HMDB |
| Citations |
|---|