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

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The Swiss Initiative in Systems Biology

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2,2,2-trichloroethanol

Properties

Image

Occurences in reactions

MNX_ID

MNXM3152

Image of MNXM3152

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	3

formula

C₂H₃Cl₃O

charge

0

mass

147.92495

reference

InChIKey

KPWDGTGXUYRARH-UHFFFAOYSA-N

InChI

InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2

SMILES

OCC(Cl)(Cl)Cl

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28094 chebi:28094	2,2,2-trichloroethanol 2,2,2-Trichloroethanol 2,2,2-trichloro-1-ethanol Trichloroethanol
hmdb:HMDB0041796	2,2,2-Trichloroethanol (Hydroxymethyl)trichloromethane 2, 2,2-Trichloroethanol 2,2,2-Trichloro-1-ethanol 2,2,2-Trichloro-ethanol 2,2,2-Trichloroethanol (acd/name 4.0) 2,2,2-Trichloroethyl alcohol 2,2,2-trichloroethan-1-ol CCL3ch2oh Trichlorethanol Trichloroethanol Trichloroethyl alcohol beta,beta,.beta-trichloroethanol beta-Trichloroethanol trichloroethanol
envipath:...e3773582fad5 envipathM:...e3773582fad5	Trichloroethanol
kegg.compound:C07490 keggC:C07490	Trichloroethanol 2,2,2-Trichloroethanol
seed.compound:cpd04661 seedM:cpd04661	Trichloroethanol 2,2,2-Trichloroethanol trichloroethanol
envipath:...bed784299bc1 envipathM:...bed784299bc1	compound 0044507
metacyc.compound:CPD-9673 metacycM:CPD-9673	trichloroethanol
hmdb:HMDB41796 chebi:27098 chebi:9685 keggC:M_C07490 seedM:M_cpd04661	secondary/obsolete/fantasy identifier