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loading...| Preferred Name | tyropanoate | |
| Synonyms |
tyropanoate sodium tyropanoic acid |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_135862 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:27293-82-9 Drug_Central:2785 |
|
| formula |
C15H18I3NO3 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
tyropanoate sodium tyropanoic acid |
|
| id |
CHEBI:135862 |
|
| in_subset | ||
| 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 |
|
| 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 |
|
| treeView | ||
| subClassOf |
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