The Drug Ontology

Last uploaded: March 3, 2024
Preferred Name

tyropanoate

Synonyms

tyropanoic acid

tyropanoate sodium

ID

http://purl.obolibrary.org/obo/CHEBI_135862

charge

0

database_cross_reference

Drug_Central:2785

CAS:27293-82-9

formula

C15H18I3NO3

has_obo_namespace

chebi_ontology

has_related_synonym

tyropanoic acid

tyropanoate sodium

has_RxCUI

10960

id

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)

inchikey

YMOXVLQZFAUUKI-UHFFFAOYSA-N

label

Tyropanoate

tyropanoate

mass

641.022

monoisotopicmass

640.84208

notation

CHEBI:135862

prefLabel

tyropanoate

smiles

C(C(C(O)=O)CC)C1=C(I)C(NC(CCC)=O)=C(C=C1I)I

subClassOf

http://purl.obolibrary.org/obo/CHEBI_25384

http://purl.obolibrary.org/obo/CHEBI_22712

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