CHEBI:71005 - (3S,4S)-3-hydroxy-4-methyldecanoic acid

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ChEBI Name (3S,4S)-3-hydroxy-4-methyldecanoic acid
ChEBI ID CHEBI:71005
ChEBI ASCII Name (3S,4S)-3-hydroxy-4-methyldecanoic acid
Definition A 3-hydroxy monocarboxylic acid that is 3-hydroxydecanoic acid substituted by a methyl group at position 4 (the 3S,4S stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H22O3
Net Charge 0
Average Mass 202.29060
Monoisotopic Mass 202.15689
InChI InChI=1S/C11H22O3/c1-3-4-5-6-7-9(2)10(12)8-11(13)14/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9-,10-/m0/s1
InChIKey MQCYTQLWRHLCHW-UWVGGRQHSA-N
SMILES CCCCCC[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-methyldecanoic acid (CHEBI:71005) has functional parent decanoic acid (CHEBI:30813)
(3S,4S)-3-hydroxy-4-methyldecanoic acid (CHEBI:71005) is a 3-hydroxy monocarboxylic acid (CHEBI:35969)
(3S,4S)-3-hydroxy-4-methyldecanoic acid (CHEBI:71005) is a branched-chain fatty acid (CHEBI:35819)
(3S,4S)-3-hydroxy-4-methyldecanoic acid (CHEBI:71005) is a hydroxy fatty acid (CHEBI:24654)
(3S,4S)-3-hydroxy-4-methyldecanoic acid (CHEBI:71005) is a medium-chain fatty acid (CHEBI:59554)
Incoming arenamide A (CHEBI:65433) has functional parent (3S,4S)-3-hydroxy-4-methyldecanoic acid (CHEBI:71005)
IUPAC Name
(3S,4S)-3-hydroxy-4-methyldecanoic acid
Synonym Source
3-hydroxy-4-methyldecanoic acid ChEBI
Last Modified
21 February 2013