Update SMILES formula to SMILES string (#235)

* Update SMILES formula to SMILES string * Reparent SMILES from chemical formula to structural formula --------- Co-authored-by: Joshua Klein <[email protected]>
HUPO-PSI · Feb 13, 2024 · 16631ef · 16631ef
1 parent 4936536
commit 16631ef
Showing 1 changed file with 5 additions and 5 deletions.
diff --git a/psi-ms.obo b/psi-ms.obo
@@ -1,7 +1,7 @@
 format-version: 1.2
-data-version: 4.1.140
-date: 24:01:2024 10:23
-saved-by: Yasset Perez-Riverol
+data-version: 4.1.141
+date: 11:02:2024 10:23
+saved-by: Eric Deutsch
 auto-generated-by: OBO-Edit 2.3.1
 import: http://purl.obolibrary.org/obo/pato.obo
 import: http://purl.obolibrary.org/obo/stato.owl
@@ -6133,9 +6133,9 @@ relationship: has_value_type xsd:string ! The allowed value-type for this CV ter
 
 [Term]
 id: MS:1000868
-name: SMILES formula
+name: SMILES string
 def: "The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of a chemical compound using a short ASCII string." [EDAM:2301]
-is_a: MS:1000864 ! chemical formula
+is_a: MS:1000867 ! structural formula
 relationship: has_value_type xsd:string ! The allowed value-type for this CV term
 
 [Term]