CHEBI:186745 - 6-Methylheptan-3-ol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 6-Methylheptan-3-ol
ChEBI ID CHEBI:186745
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H18O
Net Charge 0
Average Mass 130.231
Monoisotopic Mass 130.13577
InChI InChI=1S/C8H18O/c1-4-8(9)6-5-7(2)3/h7-9H,4-6H2,1-3H3
InChIKey MNBIBGDICHMQFN-UHFFFAOYSA-N
SMILES OC(CCC(C)C)CC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 6-Methylheptan-3-ol (CHEBI:186745) is a secondary alcohol (CHEBI:35681)
IUPAC Name
6-methylheptan-3-ol
Manual Xrefs Databases
78281 ChemSpider
LMFA05000482 LIPID MAPS
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Registry Number Type Source
18720-66-6 CAS Registry Number ChemIDplus