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

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trichloroacetate

	Properties	Image
MNX_ID	MNXM3108
reference	chebi:27455
formula	C₂Cl₃O₂
global charge	-1
mol weight	162.379
InChIKey	YNJBWRMUSHSURL-UHFFFAOYSA-M
InChI	InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)/p-1
SMILES	O=C([O-])C(Cl)(Cl)Cl

MNX internals

InChI (mnx)	InChI=1/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
SMILES (mnx)	[C:1]([C:2]([Cl:3])([Cl:4])[Cl:5])(=[O:6])[OH:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27455 chebi:27455 YNJBWRMUSHSURL-UHFFFAOYSA-M	trichloroacetate 2,2,2-trichloroacetate trichloroacetate anion trichloroacetate(1-) trichloroacetic acid, ion(1-)
metacyc.compound:CPD-9675 metacycM:CPD-9675 YNJBWRMUSHSURL-UHFFFAOYSA-M	2,2,2-trichloroacetate 2,2,2-trichloroacetic acid
envipath:...8b202a0d01be envipathM:...8b202a0d01be sabiork.compound:13227 sabiorkM:13227 YNJBWRMUSHSURL-UHFFFAOYSA-M	Trichloroacetate
seed.compound:cpd08028 seedM:cpd08028 YNJBWRMUSHSURL-UHFFFAOYSA-M	Trichloroacetate 2,2,2-trichloroacetate 2,2,2-trichloroacetic acid TCA Trichloroacetic acid trichloroacetate
kegg.compound:C11150 keggC:C11150 YNJBWRMUSHSURL-UHFFFAOYSA-N	Trichloroacetate TCA Trichloroacetic acid
hmdb:HMDB0042048 YNJBWRMUSHSURL-UHFFFAOYSA-N	Trichloroacetic acid 2,2,2-Trichloro-acetic acid Acetic acid, trichloro- (solid) Aceto-caustin Acid, trichloroacetic Acide trichloracetique Acido tricloroacetico Amchem grass killer CCL3cooh Konesta Kyselina trichloroctova Rubidium trichloroacetate Sanofi brand OF trichloroacetic acid Sodium trichloroacetate TCA TKhU TKhUK Trichloorazijnzuur Trichloracetate Trichloracetic acid Trichloracetique, acide Trichloressigsaeure Trichloressigsaure Trichloro-acetic acid Trichloroacetate Trichloroacetate, rubidium Trichloroacetate, sodium Trichloroacetic acid (acd/name 4.0) Trichloroacetic acid solid (dot) Trichloroacetic acid solution (dot) Trichloroethanoate Trichloroethanoic acid trichloroacetic acid
kegg.drug:D08633 keggD:D08633 YNJBWRMUSHSURL-UHFFFAOYSA-N	Trichloroacetic acid Acido tricloroacetico (TN) Trichloroacetate
vmhM:M03041 vmhmetabolite:M03041 YNJBWRMUSHSURL-UHFFFAOYSA-M	Trichloroacetic acid trichloroacetic acid
envipath:...18ece8b1c8ed envipathM:...18ece8b1c8ed YNJBWRMUSHSURL-UHFFFAOYSA-M	compound 0064179
CHEBI:30956 chebi:30956 YNJBWRMUSHSURL-UHFFFAOYSA-N	trichloroacetic acid TCA Trichloressigsaeure Trichloroacetic acid trichloracetic acid trichloroethanoic acid
hmdb:HMDB42048 chebi:27094 chebi:27095 chebi:9684 keggC:M_C11150 keggD:M_D08633 seedM:M_cpd08028 vmhM:M_M03041	secondary/obsolete/fantasy identifier