CHEBI:134180 - leucomethylene blue

ChEBI IDCHEBI:134180
ChEBI Nameleucomethylene blue
Stars
DefinitionA member of the class of phenothiazines that is 10H-phenothiazine in which the ring hydrogens at positions 3 and 7 have been replaced by dimethylamino groups.
Secondary ChEBI IDCHEBI:8796
Last Modified18 May 2017
SubmitterKeeva
DownloadsMolfile
FormulaC16H19N3S
Net Charge0
Average Mass285.416
Monoisotopic Mass285.12997
SMILESCN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2
InChIInChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3
InChIKeyQTWZICCBKBYHDM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - PubMed (15808010)
Apis cerana (ncbitaxon:7461) - MetaboLights (MTBLS379)
Mus musculus (ncbitaxon:10090) - PubMed (15808010)
Escherichia coli (ncbitaxon:562) - PubMed (16260876)
Enterococcus faecalis (ncbitaxon:1351) - PubMed (16260876)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
leucomethylene blue (CHEBI:134180) has role bacterial xenobiotic metabolite (CHEBI:76976)
leucomethylene blue (CHEBI:134180) has role fluorochrome (CHEBI:51217)
leucomethylene blue (CHEBI:134180) has role mouse metabolite (CHEBI:75771)
leucomethylene blue (CHEBI:134180) has role rat metabolite (CHEBI:86264)
leucomethylene blue (CHEBI:134180) is a aromatic amine (CHEBI:33860)
leucomethylene blue (CHEBI:134180) is a phenothiazines (CHEBI:38093)
leucomethylene blue (CHEBI:134180) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N3,N3,N7,N7-tetramethyl-10H-phenothiazine-3,7-diamine
Synonyms  Source
Reduced methylene blueKEGG COMPOUND
PanatoneChemIDplus
Manual XrefsDatabases
C05721KEGG COMPOUND
144378ChemSpider
Registry NumbersSources
Reaxys:29531Reaxys
CAS:613-11-6ChemIDplus
Citations