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CHEBI:170061 - 2-({2-[4-(4-Fluorophenyl)piperazino]-2-oxoethyl}sulfanyl)acetic acid

ChEBI IDCHEBI:170061
ChEBI Name2-({2-[4-(4-Fluorophenyl)piperazino]-2-oxoethyl}sulfanyl)acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H17FN2O3S
Net Charge0
Average Mass312.366
Monoisotopic Mass312.09439
SMILESO=C(O)CSCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2O3S/c15-11-1-3-12(4-2-11)16-5-7-17(8-6-16)13(18)9-21-10-14(19)20/h1-4H,5-10H2,(H,19,20)
InChIKeyQTPBEOVVURPKLE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Pseudomonas aeruginosa (ncbitaxon:287)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Pseudomonas aeruginosa/Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
ChEBI Ontology
Outgoing Relation(s)
2-({2-[4-(4-Fluorophenyl)piperazino]-2-oxoethyl}sulfanyl)acetic acid (CHEBI:170061) is a piperazines (CHEBI:26144)
IUPAC Name 
2-[2-[4-(4-luorophenyl)piperazin-1-yl]-2-oxoethyl]sulanylacetic acid
Manual XrefsDatabases
2091065ChemSpider