CHEBI:17869 - 6-hydroxyhexanoic acid

ChEBI IDCHEBI:17869
ChEBI Name6-hydroxyhexanoic acid
Stars
DefinitionAn ω-hydroxy fatty acid comprising hexanoic acid having a hydroxy group at the 6-position.
Secondary ChEBI IDCHEBI:2191
Last Modified24 January 2023
DownloadsMolfile
FormulaC6H12O3
Net Charge0
Average Mass132.159
Monoisotopic Mass132.07864
SMILESO=C(O)CCCCCO
InChIInChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)
InChIKeyIWHLYPDWHHPVAA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
6-hydroxyhexanoic acid (CHEBI:17869) has functional parent hexanoic acid (CHEBI:30776)
6-hydroxyhexanoic acid (CHEBI:17869) has role bacterial xenobiotic metabolite (CHEBI:76976)
6-hydroxyhexanoic acid (CHEBI:17869) is a 6-hydroxy monocarboxylic acid (CHEBI:35971)
6-hydroxyhexanoic acid (CHEBI:17869) is a straight-chain fatty acid (CHEBI:59202)
6-hydroxyhexanoic acid (CHEBI:17869) is a ω-hydroxy-medium-chain fatty acid (CHEBI:194303)
6-hydroxyhexanoic acid (CHEBI:17869) is conjugate acid of 6-hydroxyhexanoate (CHEBI:32383)
Incoming Relation(s)
oscr#12 (CHEBI:79135) has functional parent 6-hydroxyhexanoic acid (CHEBI:17869)
6-hydroxyhexanoate (CHEBI:32383) is conjugate base of 6-hydroxyhexanoic acid (CHEBI:17869)
IUPAC Name 
6-hydroxyhexanoic acid
Synonyms  Source
6-Hydroxyhexanoic acidKEGG COMPOUND
ε-hydroxycaproic acidChemIDplus
6-hydroxycaproic acidNIST Chemistry WebBook
6-hydroxy caproic acidLIPID MAPS
5-carboxypentanolChEBI
5-hydroxypentanecarboxylic acidChEBI
Manual XrefsDatabases
C06103KEGG COMPOUND
LMFA01050015LIPID MAPS
HMDB0012843HMDB
Registry NumbersSources
Reaxys:1236785Reaxys
CAS:1191-25-9ChemIDplus
CAS:1191-25-9NIST Chemistry WebBook
CAS:1191-25-9KEGG COMPOUND
Citations