CHEBI:59564 - thermospermine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name thermospermine
ChEBI ID CHEBI:59564
Definition Propane-1,3-diamine in which a hydrogen attached to one nitrogen is substituted by a 3-aminoprop-1-yl group, and a hydrogen attached to the other nitrogen is substituted by a 4-aminobut-1-yl group. A polyamine natural product, its name arises from its similarity to spermine and the fact that it was first isolated from the extreme thermophile, Thermus thermophilus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H26N4
Net Charge 0
Average Mass 202.34020
Monoisotopic Mass 202.21575
InChI InChI=1S/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2
InChIKey DODDBCGMRAFLEB-UHFFFAOYSA-N
SMILES NCCCCNCCCNCCCN
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing thermospermine (CHEBI:59564) is a polyazaalkane (CHEBI:39474)
thermospermine (CHEBI:59564) is a tetramine (CHEBI:39166)
thermospermine (CHEBI:59564) is conjugate base of thermosperminium(4+) (CHEBI:59903)
Incoming thermosperminium(4+) (CHEBI:59903) is conjugate acid of thermospermine (CHEBI:59564)
IUPAC Name
N-{3-[(3-aminopropyl)amino]propyl}butane-1,4-diamine
Synonyms Sources
1,12-diamino-4,8-diazadodecane ChemIDplus
N1-(3-(3-aminopropylamino)propyl)butane-1,4-diamine ChEBI
Registry Numbers Types Sources
2236642 Beilstein Registry Number Beilstein
70862-11-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18669523 PubMed citation Europe PMC
479149 PubMed citation Europe PMC
Last Modified
01 June 2010