Showing metabocard for Glutaral (BMDB0063666)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-02-10 19:45:23 UTC
Update Date2020-04-22 15:54:36 UTC
BMDB IDBMDB0063666
Secondary Accession Numbers
  • BMDB63666
Metabolite Identification
Common NameGlutaral
DescriptionGlutaral, also known as 1,5-pentanedial or relugan GT, belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. Based on a literature review a significant number of articles have been published on Glutaral.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1,3-DiformylpropaneChEBI
1,5-PentanedialChEBI
1,5-PentanedioneChEBI
GlutaralumChEBI
GlutardialdehydeChEBI
Glutaric acid dialdehydeChEBI
Glutaric dialdehydeChEBI
PENTANEDIALChEBI
GlutaraldehydeKegg
SonacideKegg
Sterihyde LKegg
Glutarate dialdehydeGenerator
1,3-Diformyl propaneHMDB
Aldehyd glutarowyHMDB
AldesanHMDB
AldesenHMDB
AlhydexHMDB
AqucarHMDB
Bactron K31HMDB
CidexHMDB
Cidex 7HMDB
Coldcide-25 microbiocideHMDB
DioxopentaneHMDB
DiswartHMDB
GludesinHMDB
GlutacleanHMDB
Glutaral(usan)HMDB
Glutaral, inn, usanHMDB
GlutaraldehydHMDB
GLUTARALDEHYDE, 25% solnHMDB
Glutarex 28HMDB
Glutaric aldehydeHMDB
GlutarolHMDB
Glutarol-1,5-pentanedialHMDB
GluteraldehydeHMDB
GluturalHMDB
HospexHMDB
NovarucaHMDB
Pentane-1,5-dialHMDB
Pentanedial, homopolymerHMDB
Poly(glutaraldehyde)HMDB
PolyglutaraldehydeHMDB
Potentiated acid glutaraldehydeHMDB
Protectol gda, GT 50HMDB
PTDHMDB
Relugan GTHMDB
Relugan GT 50HMDB
Relugan GTWHMDB
SporicidinHMDB
SterihydeHMDB
UcarcideHMDB
Ucarcide 225HMDB
Ucarcide 250HMDB
UcarsetHMDB
Veruca-sepHMDB
VerucasepHMDB
VirsalHMDB
Bode brand OF glutaralHMDB
Cahill may roberts brand OF glutaralHMDB
Ecolab brand OF glutaralHMDB
Johnson and johnson brand OF glutaralHMDB
SekumaticHMDB
Dermatech brand OF glutaralHMDB
Bioglan brand OF glutaralHMDB
Dermal brand OF glutaralHMDB
KorsolexHMDB
GlutaralChEBI
Chemical FormulaC5H8O2
Average Molecular Weight100.1158
Monoisotopic Molecular Weight100.0524295
IUPAC Namepentanedial
Traditional Nameglutaraldehyde
CAS Registry NumberNot Available
SMILES
O=CCCCC=O
InChI Identifier
InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
InChI KeySXRSQZLOMIGNAQ-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentAlpha-hydrogen aldehydes
Alternative Parents
Substituents
  • Alpha-hydrogen aldehyde
  • Organic oxide
  • Hydrocarbon derivative
  • Short-chain aldehyde
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusDetected but not Quantified
Origin
  • Endogenous
  • Exogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.93ALOGPS
logP-0.27ChemAxon
logS-0.19ALOGPS
pKa (Strongest Acidic)16.71ChemAxon
pKa (Strongest Basic)-6.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.14 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity26.29 m³·mol⁻¹ChemAxon
Polarizability10.33 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0029599
DrugBank IDDB03266
Phenol Explorer Compound IDNot Available
FooDB IDFDB000763
KNApSAcK IDNot Available
Chemspider ID3365
KEGG Compound IDC12518
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkGlutaraldehyde
METLIN IDNot Available
PubChem Compound3485
PDB IDPTD
ChEBI ID64276
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available