EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179172 - 4S-Methylhexan-3R-ol

ChEBI IDCHEBI:179172
ChEBI Name4S-Methylhexan-3R-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H16O
Net Charge0
Average Mass116.204
Monoisotopic Mass116.12012
SMILESCC[C@@H](O)[C@@H](C)CC
InChIInChI=1S/C7H16O/c1-4-6(3)7(8)5-2/h6-8H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyNZPGYIBESMMUFU-NKWVEPMBSA-N
ChEBI Ontology
Outgoing Relation(s)
4S-Methylhexan-3R-ol (CHEBI:179172) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3R,4S)-4-methylhexan-3-ol
Manual XrefsDatabases
9106653ChemSpider
LMFA05000461LIPID MAPS