Biological and Environmental Research Ontology

Last uploaded: December 23, 2022

Id	http://purl.obolibrary.org/obo/CHEBI_135862 http://purl.obolibrary.org/obo/CHEBI_135862
Preferred Name	tyropanoate
Synonyms	tyropanoic acid tyropanoate sodium
Type	http://www.w3.org/2002/07/owl#Class

label	tyropanoate
prefLabel	tyropanoate
database_cross_reference	Drug_Central:2785 CAS:27293-82-9
notation	CHEBI:135862
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22)
has_related_synonym	tyropanoic acid tyropanoate sodium
id	CHEBI:135862
charge	0
has_obo_namespace	chebi_ontology
formula	C15H18I3NO3
subClassOf	http://purl.obolibrary.org/obo/CHEBI_25384 http://purl.obolibrary.org/obo/CHEBI_22712
inchikey	YMOXVLQZFAUUKI-UHFFFAOYSA-N
mass	641.022
monoisotopicmass	640.84208
type	http://www.w3.org/2002/07/owl#Class
smiles	C(C(C(O)=O)CC)C1=C(I)C(NC(CCC)=O)=C(C=C1I)I
alternative term	tyropanoic acid tyropanoate sodium

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