CHEBI:50451 - 6-hydroxy-3,7-dimethyloctanoic acid

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ChEBI Name 6-hydroxy-3,7-dimethyloctanoic acid
ChEBI ID CHEBI:50451
Definition A hydroxy fatty acid that consists of caprylic acid bearing two additional methyl substituents at positions 3 and 7 as well as a hydroxy substituent at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H20O3
Net Charge 0
Average Mass 188.26400
Monoisotopic Mass 188.14124
InChI InChI=1S/C10H20O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKey IQBGVZDRJBTLDN-UHFFFAOYSA-N
SMILES CC(C)C(O)CCC(C)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 6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:50451) has functional parent octanoic acid (CHEBI:28837)
6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:50451) is a hydroxy fatty acid (CHEBI:24654)
6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:50451) is conjugate acid of 6-hydroxy-3,7-dimethyloctanoate (CHEBI:64223)
Incoming (3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:64265) is a 6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:50451)
(3S,6R)-6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:64269) is a 6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:50451)
6-hydroxy-3,7-dimethyloctanoate (CHEBI:64223) is conjugate base of 6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:50451)
IUPAC Name
6-hydroxy-3,7-dimethyloctanoic acid
Manual Xrefs Databases
6-Hydroxy-37-dimethyloctanoate MetaCyc
C18067 KEGG COMPOUND
LMFA01050370 LIPID MAPS
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Registry Numbers Types Sources
1722781 Reaxys Registry Number Reaxys
1722781 Beilstein Registry Number Beilstein
Last Modified
28 July 2014