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CHEBI:86542 - 2-hydroxyhexanoic acid

ChEBI IDCHEBI:86542
ChEBI Name2-hydroxyhexanoic acid
Stars
DefinitionA hydroxy fatty acid that is caproic (hexanoic) acid substituted by a hydroxy group at position 2.
Last Modified31 October 2024
DownloadsMolfile
FormulaC6H12O3
Net Charge0
Average Mass132.159
Monoisotopic Mass132.07864
SMILESCCCCC(O)C(=O)O
InChIInChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyNYHNVHGFPZAZGA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rhincodon typus (ncbitaxon:259920) sap (NCIT:C79665) PubMed (23166652)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyhexanoic acid (CHEBI:86542) has functional parent hexanoic acid (CHEBI:30776)
2-hydroxyhexanoic acid (CHEBI:86542) has role animal metabolite (CHEBI:75767)
2-hydroxyhexanoic acid (CHEBI:86542) is a hydroxy fatty acid (CHEBI:24654)
2-hydroxyhexanoic acid (CHEBI:86542) is conjugate acid of 2-hydroxyhexanoate (CHEBI:133738)
Incoming Relation(s)
2-hydroxyhexanoyl-CoA (CHEBI:139304) has functional parent 2-hydroxyhexanoic acid (CHEBI:86542)
2-hydroxyhexanoate (CHEBI:133738) is conjugate base of 2-hydroxyhexanoic acid (CHEBI:86542)
IUPAC Name 
2-hydroxyhexanoic acid
Synonym  Source
2-hydroxycaproic acidChEBI
Manual XrefsDatabases
HMDB0001624HMDB
LMFA01050011LIPID MAPS
Registry NumbersSources
Reaxys:1721752Reaxys
CAS:6064-63-7ChemIDplus
Citations