CHEBI:168067 - Acetyl tributyl citrate

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ChEBI Name Acetyl tributyl citrate
ChEBI ID CHEBI:168067
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O8
Net Charge 0
Average Mass 402.484
Monoisotopic Mass 402.22537
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
SMILES O(C(CC(OCCCC)=O)(CC(OCCCC)=O)C(OCCCC)=O)C(=O)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Acetyl tributyl citrate (CHEBI:168067) has functional parent tetracarboxylic acid (CHEBI:35742)
Acetyl tributyl citrate (CHEBI:168067) is a organooxygen compound (CHEBI:36963)
IUPAC Name
tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
Manual Xrefs Databases
6259 ChemSpider
HMDB0034159 HMDB
View more database links
Registry Number Type Source
77-90-7 CAS Registry Number ChemIDplus