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Record Information
Version3.6
Creation Date2009-07-25 00:12:49 UTC
Update Date2013-05-29 19:48:38 UTC
HMDB IDHMDB13076
Secondary Accession NumbersNone
Metabolite Identification
Common NameSpermine dialdehyde
DescriptionSpermine dialdehyde,an oxidized product of spermine, is a novel ex vivo purging agent for both allogeneic and autologous bone marrow transplantations It has been identified as the immunosuppressive agent "SAF" (suppressor activation factor) present in the supernatant of amutant cell line [PMID: 1428363 ].
Structure
Thumb
Synonyms
  1. AlSA
  2. N,N'-Bis(3-propanal)-1,4-diaminobutane
  3. Spermic dialdehyde
Chemical FormulaC10H20N2O2
Average Molecular Weight200.278
Monoisotopic Molecular Weight200.152477894
IUPAC Name3-({4-[(3-oxopropyl)amino]butyl}amino)propanal
Traditional Name3-({4-[(3-oxopropyl)amino]butyl}amino)propanal
CAS Registry Number2578-88-3
SMILES
O=CCCNCCCCNCCC=O
InChI Identifier
InChI=1S/C10H20N2O2/c13-9-3-7-11-5-1-2-6-12-8-4-10-14/h9-12H,1-8H2
InChI KeyWPBJCXUUUSDQJO-UHFFFAOYSA-N
Chemical Taxonomy
KingdomOrganic Compounds
Super ClassAliphatic Acyclic Compounds
ClassAlkylamines
Sub ClassN/A
Other Descriptors
  • Aldehydes
Substituents
  • N/A
Direct ParentAlkylamines
Ontology
StatusExpected and Not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.81 g/LALOGPS
logP0.45ALOGPS
logP-0.87ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)13.85ChemAxon
pKa (Strongest Basic)10.23ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area58.2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity56.65ChemAxon
Polarizability23.53ChemAxon
Spectra
SpectraNot Available
Biological Properties
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationNot Available
PathwaysNot Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
DrugBank Metabolite IDNot Available
Phenol Explorer Compound IDNot Available
Phenol Explorer Metabolite IDNot Available
FoodDB IDFDB029285
KNApSAcK IDNot Available
Chemspider ID188393
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
NuGOwiki LinkHMDB13076
Metagene LinkHMDB13076
METLIN IDNot Available
PubChem Compound217390
PDB IDNot Available
ChEBI IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Lau C, Wang E, Ishaque A, Jones K, Wong B, Kimsto L, Conant J: Spermine dialdehyde, a novel ex vivo purging agent for both allogenic and autologous bone marrow transplantations. Int J Immunopharmacol. 1992 Aug;14(6):1081-91. Pubmed: 1428363