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

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phenylmercury acetate

	Properties	Image
MNX_ID	MNXM20424
reference	chebi:27684
formula	C₈H₈HgO₂
global charge	0
mol weight	336.74
InChIKey	XEBWQGVWTUSTLN-UHFFFAOYSA-M
InChI	InChI=1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1
SMILES	CC(=O)O[Hg]C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1
SMILES (mnx)	[CH3:7][C:8](=[O:9])[OH:10].[CH:1]1=[CH:2][CH:4]=[C:6][CH:5]=[CH:3]1.[Hg+:11]

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:27684 chebi:27684 XEBWQGVWTUSTLN-UHFFFAOYSA-M	phenylmercury acetate Phenylmercury acetate acetato(phenyl)mercury phenyl mercuric acetate phenylmercuric acetate phenylmercury(II) acetate
kegg.drug:D05464 keggD:D05464 XEBWQGVWTUSTLN-UHFFFAOYSA-M	Phenylmercuric acetate (NF)
envipath:...0be5df8c27fa envipathM:...0be5df8c27fa kegg.compound:C11151 keggC:C11151 XEBWQGVWTUSTLN-UHFFFAOYSA-M	Phenylmercury acetate
seed.compound:cpd08029 seedM:cpd08029 XEBWQGVWTUSTLN-UHFFFAOYSA-M	Phenylmercury acetate (acetato-O)phenylmercury (aceto)phenylmercury (acetoxymercuri)benzene (acetoxymercurio)-benzene acetoxyphenylmercury mercuriphenyl acetate phenomercuric acetate phenylmercuric acetate phenylmercury(II) acetate
metacyc.compound:CPD-901 metacycM:CPD-901 XEBWQGVWTUSTLN-UHFFFAOYSA-M	mercuriphenyl acetate (acetato-O)phenylmercury (aceto)phenylmercury (acetoxymercuri)benzene (acetoxymercurio)-benzene acetoxyphenylmercury phenomercuric acetate phenylmercuric acetate phenylmercury(II) acetate
chebi:26000 chebi:8101 keggC:M_C11151 keggD:M_D05464 seedM:M_cpd08029	secondary/obsolete/fantasy identifier