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Human Metabolome Database Version 3.5

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Showing metabocard for Glutarate semialdehyde (HMDB12233)

Record Information
Version 3.5
Creation Date 2009-04-06 10:21:27 -0600
Update Date 2013-02-08 17:28:34 -0700
HMDB ID HMDB12233
Secondary Accession Numbers None
Metabolite Identification
Common Name Glutarate semialdehyde
Description In the lysine degradation IV pathway, glutarate semialdehyde reacts with NADP+ and H2O to produce glutarate, NADPH, and H+. In this pathway, glutarate semialdehyde is produced by the reaction between 5-aminopentanoate and 2-ketoglutarate, with L-glutamate as a byproduct. The enzyme responsible for this reaction is 5-aminovalerate aminotransferase. In the lysine degradation III pathway, glutarate semialdehyde reacts with NAD+ and H2O to produce glutarate and NADH. In this pathway, glutarate semialdehyde is produced by the reaction between 5-aminopentanoate and 2-ketoglutarate, with L-glutamate as a byproduct. The enzyme responsible for this reaction is 5-aminovalerate aminotransferase.
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
  1. 4-Formylbutyric acid
  2. 5-Oxo-pentanoate
  3. 5-Oxo-pentanoic acid
  4. 5-Oxopentanoate
  5. 5-Oxopentanoic acid
  6. 5-Oxovaleric acid
Chemical Formula C5H8O3
Average Molecular Weight 116.1152
Monoisotopic Molecular Weight 116.047344122
IUPAC Name 5-oxopentanoic acid
Traditional IUPAC Name 5-oxopentanoic acid
CAS Registry Number 5746-02-1
SMILES OC(=O)CCCC=O
InChI Identifier InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8)
InChI Key VBKPPDYGFUZOAJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom Organic Compounds
Super Class Lipids
Class Fatty Acids and Conjugates
Sub Class Straight Chain Fatty Acids
Other Descriptors
  • Aliphatic Acyclic Compounds
  • Organic Compounds
  • Oxo fatty acids(Lipidmaps)
  • oxopentanoic acid(ChEBI)
  • semialdehyde(ChEBI)
  • short-chain fatty acid(ChEBI)
  • straight-chain fatty acid(ChEBI)
Substituents
  • Aldehyde
  • Carboxylic Acid
Direct Parent Straight Chain Fatty Acids
Ontology
Status Expected and Not Quantified
Origin
  • Endogenous
  • Food
Biofunction
  • Cell signaling
  • Fuel and energy storage
  • Fuel or energy source
  • Membrane integrity/stability
Application
  • Nutrients
  • Stabilizers
  • Surfactants and Emulsifiers
Cellular locations
  • Extracellular
  • Membrane
Physical Properties
State Solid
Experimental Properties
Property Value Reference
Melting Point Not Available Not Available
Boiling Point Not Available Not Available
Water Solubility Not Available Not Available
LogP Not Available Not Available
Predicted Properties
Property Value Source
Water Solubility 103 g/L ALOGPS
LogP -0.07 ALOGPS
LogP -0.11 ChemAxon
LogS -0.05 ALOGPS
pKa (strongest acidic) 4.33 ChemAxon
pKa (strongest basic) -6.9 ChemAxon
Hydrogen Acceptor Count 3 ChemAxon
Hydrogen Donor Count 1 ChemAxon
Polar Surface Area 54.37 A2 ChemAxon
Rotatable Bond Count 4 ChemAxon
Refractivity 27.21 ChemAxon
Polarizability 11.26 ChemAxon
Formal Charge 0 ChemAxon
Physiological Charge -1 ChemAxon
Spectra
Not Available
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biofluid Locations Not Available
Tissue Location Not Available
Pathways Not Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease References None
Associated OMIM IDs None
DrugBank ID Not Available
Phenol Explorer Compound ID Not Available
Phenol Explorer Metabolite ID Not Available
FoodDB ID FDB028876
KNApSAcK ID Not Available
Chemspider ID 388989 Link_out
KEGG Compound ID C03273 Link_out
BioCyc ID CPD-654 Link_out
BiGG ID Not Available
Wikipedia Link Not Available
NuGOwiki Link HMDB12233 Link_out
Metagene Link HMDB12233 Link_out
METLIN ID Not Available
PubChem Compound 439963 Link_out
PDB ID Not Available
ChEBI ID 39153 Link_out
References
Synthesis Reference Not Available
Material Safety Data Sheet (MSDS) Not Available
General References Not Available