CHEBI:165406 - 3-Hydroxyisoheptanoic acid

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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-Hydroxyisoheptanoic acid
ChEBI ID CHEBI:165406
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C7H14O3
Net Charge 0
Average Mass 146.186
Monoisotopic Mass 146.09429
InChI InChI=1S/C7H14O3/c1-5(2)3-6(8)4-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKey SCAWECGFPWPHAR-UHFFFAOYSA-N
SMILES OC(CC(C)C)CC(O)=O
ChEBI Ontology
Outgoing 3-Hydroxyisoheptanoic acid (CHEBI:165406) is a carbonyl compound (CHEBI:36586)
IUPAC Name
3-hydroxy-5-methylhexanoic acid
Manual Xrefs Databases
168187 ChemSpider
HMDB0002207 HMDB
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Registry Number Type Source
40309-49-7 CAS Registry Number ChemIDplus