EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:151122 - Sulfurous acid, octadecyl pentyl ester

Default Structure
ChEBI IDCHEBI:151122
ChEBI NameSulfurous acid, octadecyl pentyl ester
Stars
Submittermwilliams
DownloadsMolfile
FormulaC23H48O3S
Net Charge0
Average Mass404.701
Monoisotopic Mass404.33242
SMILESCCCCCCCCCCCCCCCCCCO[S@@](=O)OCCCCC
InChIInChI=1S/C23H48O3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26-27(24)25-22-20-6-4-2/h3-23H2,1-2H3/t27-/m0/s1
InChIKeyMUGLBKVIXNFMSC-MHZLTWQESA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) cell lysate (BTO:0004304) MetaboLights (MTBLS1079) Strain: Escherichia coli str. K-12 substr. DH10B [NCBITAXON:316385]
ChEBI Ontology
Outgoing Relation(s)
Sulfurous acid, octadecyl pentyl ester (CHEBI:151122) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
octadecyl pentyl sulite