CHEBI:39980 - 3-hydroxyglutaric acid

ChEBI IDCHEBI:39980
ChEBI Name3-hydroxyglutaric acid
Stars
DefinitionA 3 hydroxy carboxylic acid that is glutaric acid which is substituted by a hydroxy group at position 3. It is a diagnostic marker for glutaric aciduria type I.
Last Modified9 May 2022
DownloadsMolfile
FormulaC5H8O5
Net Charge0
Average Mass148.114
Monoisotopic Mass148.03717
SMILESO=C(O)CC(O)CC(=O)O
InChIInChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)
InChIKeyZQHYXNSQOIDNTL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
cerebrospinal fluid (UBERON:0001359) PubMed (10604139)
blood (UBERON:0000178) PubMed (16055049)
blood plasma (BTO_0000131) PubMed (30218917)
urine (BTO:0001419) PubMed (30218917)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxyglutaric acid (CHEBI:39980) has functional parent glutaric acid (CHEBI:17859)
3-hydroxyglutaric acid (CHEBI:39980) has role human blood serum metabolite (CHEBI:85234)
3-hydroxyglutaric acid (CHEBI:39980) has role human urinary metabolite (CHEBI:84087)
3-hydroxyglutaric acid (CHEBI:39980) is a 3-hydroxy carboxylic acid (CHEBI:61355)
3-hydroxyglutaric acid (CHEBI:39980) is a α,ω-dicarboxylic acid (CHEBI:28383)
3-hydroxyglutaric acid (CHEBI:39980) is conjugate acid of 3-hydroxyglutarate(2−) (CHEBI:191379)
Incoming Relation(s)
3-hydroxyglutarate(2−) (CHEBI:191379) is conjugate base of 3-hydroxyglutaric acid (CHEBI:39980)
IUPAC Name 
3-hydroxypentanedioic acid
Synonyms  Source
3-hydroxy-glutaric acidHMDB
β-hydroxyglutaric acidChEBI
Manual XrefsDatabases
158277ChemSpider
3HGPDBeChem
DB04594DrugBank
FDB022040FooDB
HMDB0000428HMDB
Registry NumbersSources
Reaxys:1705476Reaxys
CAS:638-18-6ChemIDplus
Citations