CHEBI:88542 - Butylparaben

ChEBI IDCHEBI:88542
ChEBI NameButylparaben
Stars
Secondary ChEBI IDCHEBI:31329
Last Modified24 February 2016
DownloadsMolfile
FormulaC11H14O3
Net Charge0
Average Mass194.230
Monoisotopic Mass194.09429
SMILESCCCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
InChIKeyQFOHBWFCKVYLES-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) Article (National Health and Nutrition Examination Survey (NHANES Survey) 2013)
ChEBI Ontology
Outgoing Relation(s)
Butylparaben (CHEBI:88542) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
Butyl parahydroxybenzoate (TN)KEGG COMPOUND
Butylparaben (TN)KEGG COMPOUND
N-Butyl p-hydroxybenzoateHMDB
Tegosept butylHMDB
4-(Butoxycarbonyl)phenolHMDB
butyl 4-hydroxybenzoateHMDB
Manual XrefsDatabases
D01420KEGG DRUG
HMDB0032575HMDB
LSM-2161LINCS
Registry NumbersSources
CAS:94-26-8KEGG COMPOUND
CAS:94-26-8KEGG COMPOUND
Citations