EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198043 - Trans-6-hydroxymethyl-3-methyl-7-oxo-undecan-4-olide

ChEBI IDCHEBI:198043
ChEBI NameTrans-6-hydroxymethyl-3-methyl-7-oxo-undecan-4-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H24O4
Net Charge0
Average Mass256.342
Monoisotopic Mass256.16746
SMILESCCCCCC(=O)C(CO)C[C@@H]1OC(=O)C[C@H]1C
InChIInChI=1S/C14H24O4/c1-3-4-5-6-12(16)11(9-15)8-13-10(2)7-14(17)18-13/h10-11,13,15H,3-9H2,1-2H3/t10-,11?,13+/m1/s1
InChIKeySDLFSCGVKKSEPZ-XEEJXUNPSA-N
ChEBI Ontology
Outgoing Relation(s)
Trans-6-hydroxymethyl-3-methyl-7-oxo-undecan-4-olide (CHEBI:198043) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(4R,5S)-5-[2-(hydroxymethyl)-3-oxooctyl]-4-methyloxolan-2-one
Manual XrefsDatabases
78439572ChemSpider