EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:65072 - carboxyspermidine(2+)

ChEBI IDCHEBI:65072
ChEBI Namecarboxyspermidine(2+)
Stars
DefinitionThe α-amino-acid cation formed from carboxyspermidine by zwitterion formation between the carboxy and α-amino groups and protonation of the nitrogen atoms at positions 5 and 10; the major structure of carboxyspermidine at pH 7.3.
Last Modified24 August 2012
SubmitterAnne Morgat
DownloadsMolfile
FormulaC8H21N3O2
Net Charge+2
Average Mass191.275
Monoisotopic Mass191.16228
SMILES[NH3+]CCCC[NH2+]CC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C8H19N3O2/c9-4-1-2-5-11-6-3-7(10)8(12)13/h7,11H,1-6,9-10H2,(H,12,13)/p+2/t7-/m0/s1
InChIKeyICLFWLHIBPQMFT-ZETCQYMHSA-P
ChEBI Ontology
Outgoing Relation(s)
carboxyspermidine(2+) (CHEBI:65072) is a α-amino-acid cation (CHEBI:33719)
carboxyspermidine(2+) (CHEBI:65072) is conjugate acid of carboxyspermidine (CHEBI:66868)
Incoming Relation(s)
carboxyspermidine (CHEBI:66868) is conjugate base of carboxyspermidine(2+) (CHEBI:65072)
IUPAC Name 
(2S)-2-azaniumyl-5-[(3-azaniumylpropyl)azaniumyl]pentanoate
Synonym  Source
(2S)-2-ammonio-5-[(3-ammoniopropyl)ammonio]pentanoateIUPAC
UniProt Name  Source
carboxyspermidineUniProt
Manual XrefsDatabases
CPD-10012MetaCyc
Citations