CHEBI:183103 - 3-hydroxypropyl isothiocyanate

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ChEBI Name 3-hydroxypropyl isothiocyanate
ChEBI ID CHEBI:183103
Definition An isothiocyanate that is 1-isothiocyanatopropane substituted by a hydroxy group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C4H7NOS
Net Charge 0
Average Mass 117.170
Monoisotopic Mass 117.02484
InChI InChI=1S/C4H7NOS/c6-3-1-2-5-4-7/h6H,1-3H2
InChIKey HKKOVTXONDHGLP-UHFFFAOYSA-N
SMILES OCCCN=C=S
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) See: PubMed
Roles Classification
Biological Role(s): Arabidopsis thaliana metabolite
Any plant metabolite that is produced by Arabidopsis thaliana.
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ChEBI Ontology
Outgoing 3-hydroxypropyl isothiocyanate (CHEBI:183103) has role Arabidopsis thaliana metabolite (CHEBI:140602)
3-hydroxypropyl isothiocyanate (CHEBI:183103) is a isothiocyanate (CHEBI:52221)
3-hydroxypropyl isothiocyanate (CHEBI:183103) is a primary alcohol (CHEBI:15734)
IUPAC Name
3-isothiocyanatopropan-1-ol
Synonyms Sources
3-hydroxypropyl isothiocyanate UniProt
3-isothiocyanato-1-propanol ChEBI
Manual Xref Database
10493410 ChemSpider
View more database links
Registry Number Type Source
4404-46-0 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
11752388 PubMed citation SUBMITTER
34356918 PubMed citation Europe PMC
Last Modified
23 November 2021