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CHEBI:177431 - 2,3-Bis(octylsulfanyl)-1-propanol

Default Structure
ChEBI IDCHEBI:177431
ChEBI Name2,3-Bis(octylsulfanyl)-1-propanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H40OS2
Net Charge0
Average Mass348.662
Monoisotopic Mass348.25206
SMILESCCCCCCCCSCC(CO)SCCCCCCCC
InChIInChI=1S/C19H40OS2/c1-3-5-7-9-11-13-15-21-18-19(17-20)22-16-14-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3
InChIKeyQFABSLRCNMGQBZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
2,3-Bis(octylsulfanyl)-1-propanol (CHEBI:177431) is a aliphatic sulfide (CHEBI:22327)
IUPAC Name 
2,3-bis(octylsulanyl)propan-1-ol
Manual XrefsDatabases
58829667ChemSpider