Methyl 4,4,4-trifluoro-3-hydroxy-3-methoxybutanoate (CHEBI:180614)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Methyl 4,4,4-trifluoro-3-hydroxy-3-methoxybutanoate

ChEBI ID	CHEBI:180614

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C6H9F3O4

Net Charge

Average Mass

202.129

Monoisotopic Mass

202.04529

InChI

InChI=1S/C6H9F3O4/c1-12-4(10)3-5(11,13-2)6(7,8)9/h11H,3H2,1-2H3

InChIKey

NGBTWDCVWGOJHQ-UHFFFAOYSA-N

SMILES

FC(F)(F)C(OC)(O)CC(OC)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in pancreas (BTO:0000988). of strain PANC-1 cell [BCGO:0000122] See: MetaboLights Study

ChEBI Ontology
Outgoing	Methyl 4,4,4-trifluoro-3-hydroxy-3-methoxybutanoate (CHEBI:180614) is a fatty acid methyl ester (CHEBI:4986)

IUPAC Name

methyl 4,4,4-triluoro-3-hydroxy-3-methoxybutanoate