CHEBI:72563 - (3S,4S)-3-hydroxy-4-methyloctanoic acid

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ChEBI Name (3S,4S)-3-hydroxy-4-methyloctanoic acid ChEBI ID CHEBI:72563 ChEBI ASCII Name (3S,4S)-3-hydroxy-4-methyloctanoic acid Definition A hydroxy fatty acid that is caprylic (octanoic) acid substituted at positions 3 and 4 by hydroxy and methyl grous respectively. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H18O3 Net Charge 0 Average Mass 174.23740 Monoisotopic Mass 174.12559 InChI InChI=1S/C9H18O3/c1-3-4-5-7(2)8(10)6-9(11)12/h7-8,10H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m0/s1 InChIKey GUXUIBFKSWOPEY-YUMQZZPRSA-N SMILES CCCC[C@H](C)[C@@H](O)CC(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing (3S,4S)-3-hydroxy-4-methyloctanoic acid (CHEBI:72563) has functional parent octanoic acid (CHEBI:28837) (3S,4S)-3-hydroxy-4-methyloctanoic acid (CHEBI:72563) is a branched-chain fatty acid (CHEBI:35819) (3S,4S)-3-hydroxy-4-methyloctanoic acid (CHEBI:72563) is a hydroxy fatty acid (CHEBI:24654) (3S,4S)-3-hydroxy-4-methyloctanoic acid (CHEBI:72563) is a medium-chain fatty acid (CHEBI:59554) Incoming arenamide B (CHEBI:65434) has functional parent (3S,4S)-3-hydroxy-4-methyloctanoic acid (CHEBI:72563) IUPAC Name (3S,4S)-3-hydroxy-4-methyloctanoic acid Synonym Source 3-hydroxy-4-methyloctanoic acid ChEBI Registry Number Type Source 10429019 Reaxys Registry Number Reaxys Last Modified 21 February 2013