Chemical Entities of Biological Interest Ontology

Last uploaded: May 1, 2024

Preferred Name	Acetyl tributyl citrate
Synonyms	tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
ID	http://purl.obolibrary.org/obo/CHEBI_168067
charge	0
database_cross_reference	CAS:77-90-7 HMDB:HMDB0034159 Chemspider:6259
formula	C20H34O8
has functional parent	http://purl.obolibrary.org/obo/CHEBI_35742
has_exact_synonym	tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
has_obo_namespace	chebi_ontology
id	CHEBI:168067
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3
inchikey	QZCLKYGREBVARF-UHFFFAOYSA-N
label	Acetyl tributyl citrate
mass	402.484
monoisotopicmass	402.22537
notation	CHEBI:168067
prefLabel	Acetyl tributyl citrate
smiles	O(C(CC(OCCCC)=O)(CC(OCCCC)=O)C(OCCCC)=O)C(=O)C
treeView	http://purl.obolibrary.org/obo/CHEBI_36963
subClassOf	http://purl.obolibrary.org/obo/CHEBI_36963

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_168067	BERO	SAME_URI
http://purl.bioontology.org/ontology/NDDF/010107	NDDF	LOOM
http://purl.bioontology.org/ontology/RXNORM/1362881	RXNORM	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C78760	NCIT	LOOM
http://purl.obolibrary.org/obo/CHEBI_168067	BERO	LOOM
http://purl.obolibrary.org/obo/DRON_00834968	PDRO	LOOM
http://purl.obolibrary.org/obo/DRON_00834968	DRON	LOOM
http://purl.obolibrary.org/obo/NCIT_C78760	BERO	LOOM