EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:176825 - Tributyl citrate

Default Structure
ChEBI IDCHEBI:176825
ChEBI NameTributyl citrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O7
Net Charge0
Average Mass360.447
Monoisotopic Mass360.21480
SMILESCCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
InChIInChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3
InChIKeyZFOZVQLOBQUTQQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS2531)
ChEBI Ontology
Outgoing Relation(s)
Tributyl citrate (CHEBI:176825) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
tributyl 2-hydroxypropane-1,2,3-tricarboxylate
Manual XrefsDatabases
6261ChemSpider
Registry NumbersSources
CAS:77-94-1ChemIDplus