MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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trifluoroacetate

	Properties	Image
MNX_ID	MNXM161892
reference	chebi:27110
formula	C₂F₃O₂
global charge	-1
mol weight	113.014
InChIKey	DTQVDTLACAAQTR-UHFFFAOYSA-M
InChI	InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/p-1
SMILES	O=C([O-])C(F)(F)F

MNX internals

InChI (mnx)	InChI=1/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
SMILES (mnx)	[C:1]([C:2]([F:3])([F:4])[F:5])(=[O:6])[OH:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27110 chebi:27110 DTQVDTLACAAQTR-UHFFFAOYSA-M	trifluoroacetate CF3CO2 anion CF3COO(-) tfa trifluoroacetic acid, ion(1-)
envipath:...08fd7bd4fd6e envipathM:...08fd7bd4fd6e sabiork.compound:27863 sabiorkM:27863 DTQVDTLACAAQTR-UHFFFAOYSA-M DTQVDTLACAAQTR-UHFFFAOYSA-N	Trifluoroacetate
envipath:...6890bf06da3c envipathM:...6890bf06da3c DTQVDTLACAAQTR-UHFFFAOYSA-N	Trifluoroacetic acid (TFA) (M05)
hmdb:HMDB0014118 DTQVDTLACAAQTR-UHFFFAOYSA-N	Trifluoroacetic acid Acid, trifluoroacetic Acide trifluoroacetique CF3COOH Cesium trifluoroacetate Kyselina trifluoroctova Perfluoroacetate Perfluoroacetic acid TFA Trifluoracetic acid Trifluoressigsaeure Trifluoressigsaure Trifluoro-acetic acid Trifluoroacetate Trifluoroacetate, cesium Trifluoroacetic acid (acd/name 4.0) Trifluoroethanoic acid trifluoroacetic acid
envipath:...34fd0c522e17 envipathM:...34fd0c522e17 DTQVDTLACAAQTR-UHFFFAOYSA-N	compound 0004107
envipath:...07d8610f261d envipathM:...07d8610f261d DTQVDTLACAAQTR-UHFFFAOYSA-M	compound 0038541
CHEBI:193050 chebi:193050 DTQVDTLACAAQTR-UHFFFAOYSA-N	trifluoroacetic acid-d1 CF3COOD TFA-d deuterated trifluoroacetic acid deuterio 2,2,2-trifluoroacetate deuterotrifluoroacetic acid trifluoroacetic acid-d
CHEBI:45892 chebi:45892 DTQVDTLACAAQTR-UHFFFAOYSA-N	trifluoroacetic acid CF3COOH TFA Trifluoressigsaeure acide trifluoroacetique perfluoroacetic acid
hmdb:HMDB14118 chebi:27111	secondary/obsolete/fantasy identifier