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Human Metabolome Database Version 3.5

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Showing metabocard for 6-Succinoaminopurine (HMDB13204)

Record Information
Version 3.5
Creation Date 2009-11-30 08:50:55 -0700
Update Date 2013-02-08 17:29:54 -0700
HMDB ID HMDB13204
Secondary Accession Numbers None
Metabolite Identification
Common Name 6-Succinoaminopurine
Description 6-Succinoaminopurine is endogenously metabolite produced in man. It has been shown to be an intermediate in the conversion of inosinic acid to adenylic acid. No consistent changes in adenine or hypoxanthine excretion occurred when 6-Succinoaminopurine excretion changed.
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
  1. Adenylsuccinate
  2. Adenylsuccinic acid
  3. Succinoadenin
  4. Succinoadenine
Chemical Formula C9H9N5O3
Average Molecular Weight 235.1995
Monoisotopic Molecular Weight 235.070539179
IUPAC Name 3-[(7H-purin-6-yl)carbamoyl]propanoic acid
Traditional IUPAC Name 3-[(7H-purin-6-yl)carbamoyl]propanoic acid
CAS Registry Number Not Available
SMILES OC(=O)CCC(=O)NC1=C2NC=NC2=NC=N1
InChI Identifier InChI=1S/C9H9N5O3/c15-5(1-2-6(16)17)14-9-7-8(11-3-10-7)12-4-13-9/h3-4H,1-2H2,(H,16,17)(H2,10,11,12,13,14,15)
InChI Key PQBHLXAMWLYHTB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom Organic Compounds
Super Class Aromatic Heteropolycyclic Compounds
Class Imidazopyrimidines
Sub Class N/A
Other Descriptors
  • Purines and Purine Derivatives
Substituents
  • Aminopyrimidine
  • Carboxamide Group
  • Carboxylic Acid
  • Imidazole
  • Pyrimidine
  • Secondary Carboxylic Acid Amide
Direct Parent Imidazopyrimidines
Ontology
Status Expected and Not Quantified
Origin
  • Endogenous
Biofunction Not Available
Application Not Available
Cellular locations Not Available
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 0.57 g/L ALOGPS
LogP -0.95 ALOGPS
LogP -1.6 ChemAxon
LogS -2.61 ALOGPS
pKa (strongest acidic) 3.34 ChemAxon
pKa (strongest basic) 4.54 ChemAxon
Hydrogen Acceptor Count 6 ChemAxon
Hydrogen Donor Count 3 ChemAxon
Polar Surface Area 120.86 A2 ChemAxon
Rotatable Bond Count 4 ChemAxon
Refractivity 59.28 ChemAxon
Polarizability 21.65 ChemAxon
Formal Charge 0 ChemAxon
Physiological Charge -1 ChemAxon
Spectra
Not Available
Biological Properties
Cellular Locations Not Available
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
DrugBank Metabolite ID Not Available
Phenol Explorer Compound ID Not Available
Phenol Explorer Metabolite ID Not Available
FoodDB ID FDB029330
KNApSAcK ID Not Available
Chemspider ID 11979132 Link_out
KEGG Compound ID Not Available
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Not Available
NuGOwiki Link HMDB13204 Link_out
Metagene Link HMDB13204 Link_out
METLIN ID Not Available
PubChem Compound 18877593 Link_out
PDB ID Not Available
ChEBI ID Not Available
References
Synthesis Reference Not Available
Material Safety Data Sheet (MSDS) Not Available
General References Not Available