EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220368 - Panosialin wA

ChEBI IDCHEBI:220368
ChEBI NamePanosialin wA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O5S
Net Charge0
Average Mass400.581
Monoisotopic Mass400.22835
SMILESCC(C)CCCCCCCCCCCCc1cc(O)cc(OS(=O)(=O)O)c1
InChIInChI=1S/C21H36O5S/c1-18(2)13-11-9-7-5-3-4-6-8-10-12-14-19-15-20(22)17-21(16-19)26-27(23,24)25/h15-18,22H,3-14H2,1-2H3,(H,23,24,25)
InChIKeySLCFAIQTHOPISH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (5140534)
ChEBI Ontology
Outgoing Relation(s)
Panosialin wA (CHEBI:220368) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
[3-hydroxy-5-(13-methyltetradecyl)phenyl] hydrogen sulate
Manual XrefsDatabases
21615401ChemSpider