CDNO | Classes | AgroPortal

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ID	http://purl.obolibrary.org/obo/CHEBI_73224 http://purl.obolibrary.org/obo/CHEBI_73224 https://agroportal.lirmm.fr/ontologies/CDNO/CHEBI_73224 Loading
Preferred name	allyl isothiocyanate
Synonyms	3-isothiocyanatoprop-1-ene allyl isothiocyanate 2-propenyl isothiocyanate 3-Isothiocyanato-1-propene 3-isothiocyanato-1-propene AIT AITC Allylsenfoel Mustard oil Senf oel allyl isosulfocyanate allyl mustard oil isothiocyanate d'allyle isothiocyanic acid allyl ester oil of mustard oleum sinapis volatile mustard oil volatile oil of mustard See more See less
Definitions	An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi.

rdf:type	http://www.w3.org/2002/07/owl#Class Loading
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_52221 Loading
rdfs:label	allyl isothiocyanate allyl isothiocyanate
skos:notation	CHEBI:73224
obo_purl:IAO_0000115	An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi.
oboinowl_gen:hasExactSynonym	3-isothiocyanatoprop-1-ene allyl isothiocyanate
oboinowl_gen:hasDbXref	CAS:57-06-7 HMDB:HMDB0005843 KEGG:C19317 KEGG:D02818 PMID:20174640 PMID:21237300 PMID:21711355 PMID:22093285 PMID:22104119 PMID:22131350 PMID:22265303 PMID:23008020 PMID:23072699 PMID:23212023 PMID:23470258 PMID:23535540 PMID:23757176 Reaxys:773748 Wikipedia:Allyl_isothiocyanate See more See less
oboinowl_gen:hasOBONamespace	chebi_ontology
oboinowl_gen:id	CHEBI:73224
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR Loading
oboinowl_gen:hasRelatedSynonym	2-propenyl isothiocyanate 3-Isothiocyanato-1-propene 3-isothiocyanato-1-propene AIT AITC Allylsenfoel Mustard oil Senf oel allyl isosulfocyanate allyl mustard oil isothiocyanate d'allyle isothiocyanic acid allyl ester oil of mustard oleum sinapis volatile mustard oil volatile oil of mustard See more See less
obo_purl:charge	0
obo_purl:formula	C4H5NS
obo_purl:inchi	InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
obo_purl:inchikey	ZOJBYZNEUISWFT-UHFFFAOYSA-N
obo_purl:mass	99.15400
obo_purl:monoisotopicmass	99.01427
obo_purl:smiles	C=CCN=C=S

Subject	Author	Type	Created
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