CHEBI:17312 - N1-acetylspermine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N1-acetylspermine
ChEBI ID CHEBI:17312
ChEBI ASCII Name N(1)-acetylspermine
Definition An acetylspermine carrying an acetyl group at position N1.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7357, CHEBI:12626, CHEBI:21799
Supplier Information
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Formula C12H28N4O
Net Charge 0
Average Mass 244.37708
Monoisotopic Mass 244.226
InChI InChI=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)
InChIKey GUNURVWAJRRUAV-UHFFFAOYSA-N
SMILES CC(=O)NCCCNCCCCNCCCN
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N1-acetylspermine (CHEBI:17312) has role human metabolite (CHEBI:77746)
N1-acetylspermine (CHEBI:17312) is a acetamides (CHEBI:22160)
N1-acetylspermine (CHEBI:17312) is a acetylspermine (CHEBI:22205)
N1-acetylspermine (CHEBI:17312) is conjugate base of N1-acetylsperminium(3+) (CHEBI:58101)
Incoming N1-acetylsperminium(3+) (CHEBI:58101) is conjugate acid of N1-acetylspermine (CHEBI:17312)
IUPAC Name
N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide
Synonym Source
N1-Acetylspermine KEGG COMPOUND
Database Links Databases
C02567 KEGG COMPOUND
HMDB0001186 HMDB
N1-ACETYLSPERMINE MetaCyc
SP5 PDBeChem
View more database links
Registry Numbers Types Sources
25593-72-0 CAS Registry Number ChemIDplus
4180788 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22959971 PubMed citation Europe PMC
3757213 PubMed citation Europe PMC
4065178 PubMed citation Europe PMC
7260107 PubMed citation Europe PMC
Last Modified
23 October 2015