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

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ChEBI Name 2,2,4-trimethyl-1,3-Pentanediol
ChEBI ID CHEBI:229396
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H18O2
Net Charge 0
Average Mass 146.230
Monoisotopic Mass 146.13068
InChI InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3
InChIKey JCTXKRPTIMZBJT-UHFFFAOYSA-N
SMILES OC(C(CO)(C)C)C(C)C
Metabolite of Species Details
Oryctolagus cuniculus (NCBI:txid9986) Found in longissimus thoracis (BTO:0001651). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
8602 ChemSpider
D71064 KEGG DRUG
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Registry Number Type Source
144-19-4 CAS Registry Number ChemIDplus