Chemical Entities of Biological Interest Ontology

Last uploaded: January 1, 2025

Preferred Name	calcium sulfate hemihydrate
Synonyms	calcium sulphate hemihydrate gypsum hemihydrate Gipshalbhydrat plaster of Paris 2CaSO4.H2O calcium sulfate--water (2/1)
ID	http://purl.obolibrary.org/obo/CHEBI_32584
charge	0
database_cross_reference	KEGG:C17258 CAS:26499-65-0 CAS:10034-76-1
formula	Ca2H2S2O9
has_exact_synonym	calcium sulfate--water (2/1)
has_obo_namespace	chebi_ontology
has_related_synonym	calcium sulphate hemihydrate gypsum hemihydrate Gipshalbhydrat plaster of Paris 2CaSO4.H2O
id	CHEBI:32584
in_subset	http://purl.obolibrary.org/obo/chebi#3_STAR
inchi	InChI=1S/2Ca.2H2O4S.H2O/c;;21-5(2,3)4;/h;;2(H2,1,2,3,4);1H2/q2*+2;;;/p-4
inchikey	ZOMBKNNSYQHRCA-UHFFFAOYSA-J
label	calcium sulfate hemihydrate
mass	290.29848
monoisotopicmass	289.83921
notation	CHEBI:32584
prefLabel	calcium sulfate hemihydrate
smiles	[Ca++].[Ca++].[H]O[H].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O
treeView	http://purl.obolibrary.org/obo/CHEBI_35156 http://purl.obolibrary.org/obo/CHEBI_35505
subClassOf	http://purl.obolibrary.org/obo/CHEBI_35156 http://purl.obolibrary.org/obo/CHEBI_35505

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_32584	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_32584	BIOMODELS	SAME_URI
http://purl.bioontology.org/ontology/NDDF/008950	NDDF	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C80892	NCIT	LOOM
http://purl.bioontology.org/ontology/RXNORM/1310466	RXNORM	LOOM
http://purl.obolibrary.org/obo/NCIT_C80892	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_32584	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_32584	BIOMODELS	LOOM