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ECTO
Environmental Conditions, Treatments and Exposures Ontology
(ECTO)
OWL
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Last submission date April 10, 2024
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ID
http://purl.obolibrary.org/obo/CHEBI_137978
http://purl.obolibrary.org/obo/CHEBI_137978
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_137978
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Preferred name
1,3-dichloropropane
Synonyms
CH2ClCH2CH2Cl
trimethylene dichloride
1,3-DCP
1,3-dichloropropane
ClCH2CH2CH2Cl
Cl(CH2)3Cl
Definitions
A chloroalkane that is propane in which a hydrogen from each of the terminal methyl groups has been replaced by a chlorine.
Raw data
obo_purl:RO_0000053
http://purl.obolibrary.org/obo/CHEBI_25491
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http://purl.obolibrary.org/obo/CHEBI_78298
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oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
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obo_purl:smiles
ClCCCCl
obo_purl:charge
0
obo_purl:inchikey
YHRUOJUYPBUZOS-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_25491
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http://purl.obolibrary.org/obo/CHEBI_78298
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oboinowl_gen:hasDbXref
PMID:9008720
Reaxys:505960
Patent:EP1067105
CAS:142-28-9
PMID:28416262
PMID:14709629
AGR:IND23328194
obo_purl:IAO_0000115
A chloroalkane that is propane in which a hydrogen from each of the terminal methyl groups has been replaced by a chlorine.
skos:notation
CHEBI:137978
oboinowl_gen:hasExactSynonym
1,3-dichloropropane
obo_purl:mass
112.986
obo_purl:inchi
InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
obo_purl:formula
C3H6Cl2
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
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oboinowl_gen:hasRelatedSynonym
CH2ClCH2CH2Cl
trimethylene dichloride
1,3-DCP
ClCH2CH2CH2Cl
Cl(CH2)3Cl
oboinowl_gen:id
CHEBI:137978
rdfs:label
1,3-dichloropropane
obo_purl:monoisotopicmass
111.98466
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_23115
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http://purl.obolibrary.org/obo/CHEBI_23128
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