Record Information
Version1.0
Creation date2015-10-09 22:31:56 UTC
Update date2017-01-19 02:36:32 UTC
FoodComEx IDPC000682
FoodDB RecordFDB022474
Chemical Information
NameN1-Acetylspermine
DescriptionN1-Acetylspermine is a polyamine that has been postulated to be an intermediate in the conversion of spermine to spermidine [HMDB]. N1-Acetylspermine is found in many foods, some of which are chinese cinnamon, purple laver, common sage, and mexican oregano.
CAS Number25593-72-0
Structure
Thumb
Synonyms
SynonymSource
N-(3-((4-((3-aminopropyl)amino)butyl)amino)propyl)-Acetamidehmdb
N-Acetylsperminehmdb
N'-Acetylsperminehmdb
N'-Monoacetylsperminehmdb
N(1)-Acetylsperminehmdb
N1-Acetylsperminehmdb
Chemical FormulaC12H28N4O
IUPAC nameN-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide
InChI IdentifierInChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
InChI KeyGUNURVWAJRRUAV-UHFFFAOYSA-N
Isomeric SMILESCC(=O)NCCCNCCCCNCCCN
Average Molecular Weight244.3769
Monoisotopic Molecular Weight244.226311538
Chemical Taxonomy
Description Belongs to the class of organic compounds known as acetamides. These are organic compounds with the general formula RNHC(=O)CH3, where R= organyl group.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acid derivatives
Direct ParentAcetamides
Alternative Parents
Substituents
  • Acetamide
  • Amino acid or derivatives
  • Secondary carboxylic acid amide
  • Secondary aliphatic amine
  • Secondary amine
  • Amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 10 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Not Available