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loading...| Preferred Name | Tyropanoate sodium | |
| Synonyms |
Tyropanoate sodium |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_32273 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:7246-21-1 KEGG:D01884 |
|
| formula |
C15H17I3NO3.Na C15H17I3NNaO3 |
|
| has_exact_synonym |
Tyropanoate sodium |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:32273 |
|
| in_subset | ||
| inchi |
InChI=1S/C15H18I3NO3.Na/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);/q;+1/p-1 |
|
| inchikey |
KTVKGXZZBQCBGD-UHFFFAOYSA-M |
|
| label |
Tyropanoate sodium |
|
| mass |
663.004 |
|
| monoisotopicmass |
662.82402 |
|
| notation |
CHEBI:32273 |
|
| prefLabel |
Tyropanoate sodium |
|
| smiles |
[Na+].N(C=1C(=C(C(=CC1I)I)CC(C(=O)[O-])CC)I)C(=O)CCC |
|
| treeView | ||
| subClassOf |
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