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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_61170
http://purl.obolibrary.org/obo/CHEBI_61170
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_61170
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Preferred name
metoclopramide(1+)
Synonyms
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanaminium
Definitions
An ammonium ion obtained by protonation of the tertiary amino group of metoclopramide.
Raw data
rdf:type
http://www.w3.org/2002/07/owl#Class
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rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_35274
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rdfs:label
metoclopramide(1+)
skos:notation
CHEBI:61170
obo_purl:IAO_0000115
An ammonium ion obtained by protonation of the tertiary amino group of metoclopramide.
oboinowl_gen:hasExactSynonym
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanaminium
oboinowl_gen:hasOBONamespace
chebi_ontology
oboinowl_gen:id
CHEBI:61170
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
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obo_purl:charge
+1
obo_purl:formula
C14H23ClN3O2
obo_purl:inchi
InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)/p+1
obo_purl:inchikey
TTWJBBZEZQICBI-UHFFFAOYSA-O
obo_purl:mass
300.80400
obo_purl:monoisotopicmass
300.14733
obo_purl:smiles
CC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_107736
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obo_purl:is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_61172
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