CHEBI:229396 - 2,2,4-trimethyl-1,3-Pentanediol

ChEBI IDCHEBI:229396
ChEBI Name2,2,4-trimethyl-1,3-Pentanediol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H18O2
Net Charge0
Average Mass146.230
Monoisotopic Mass146.13068
SMILESCC(C)C(O)C(C)(C)CO
InChIInChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3
InChIKeyJCTXKRPTIMZBJT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryctolagus cuniculus (ncbitaxon:9986) longissimus thoracis (BTO:0001651) MetaboLights (MTBLS8958)
ChEBI Ontology
Outgoing Relation(s)
2,2,4-trimethyl-1,3-Pentanediol (CHEBI:229396) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
2,2,4-trimethylpentane-1,3-diol
Manual XrefsDatabases
D71064KEGG DRUG
8602ChemSpider
Registry NumbersSources
CAS:144-19-4ChemIDplus