CHEBI:179882 - 3-(Hydroxymethyl)-2-octanone

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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 3-(Hydroxymethyl)-2-octanone
ChEBI ID CHEBI:179882
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H18O2
Net Charge 0
Average Mass 158.241
Monoisotopic Mass 158.13068
InChI InChI=1S/C9H18O2/c1-3-4-5-6-9(7-10)8(2)11/h9-10H,3-7H2,1-2H3
InChIKey XLFYWCDNLLZTIW-UHFFFAOYSA-N
SMILES OCC(CCCCC)C(=O)C
ChEBI Ontology
Outgoing 3-(Hydroxymethyl)-2-octanone (CHEBI:179882) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
3-(hydroxymethyl)octan-2-one
Manual Xrefs Databases
55979 ChemSpider
HMDB0037164 HMDB
LMFA05000624 LIPID MAPS
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Registry Number Type Source
59191-78-5 CAS Registry Number ChemIDplus