EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:66868 - carboxyspermidine

ChEBI IDCHEBI:66868
ChEBI Namecarboxyspermidine
Stars
DefinitionAn L-α-amino acid that is spermidine (1,5,10-triazadecane) carboxylated with S-configuration at the 2-position.
Last Modified29 September 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H19N3O2
Net Charge0
Average Mass189.259
Monoisotopic Mass189.14773
SMILESNCCCNCCC[C@H](N)C(=O)O
InChIInChI=1S/C8H19N3O2/c9-4-2-6-11-5-1-3-7(10)8(12)13/h7,11H,1-6,9-10H2,(H,12,13)/t7-/m0/s1
InChIKeyPUDIBYZCMYMCQI-ZETCQYMHSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
carboxyspermidine (CHEBI:66868) has parent hydride spermidine (CHEBI:16610)
carboxyspermidine (CHEBI:66868) is a L-ornithine derivative (CHEBI:21368)
carboxyspermidine (CHEBI:66868) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
carboxyspermidine (CHEBI:66868) is conjugate base of carboxyspermidine(2+) (CHEBI:65072)
Incoming Relation(s)
carboxyspermidine(2+) (CHEBI:65072) is conjugate acid of carboxyspermidine (CHEBI:66868)
IUPAC Name 
(2S)-2-amino-5-[(3-aminopropyl)amino]pentanoic acid
Synonyms  Source
(2S)-2-azanyl-5-(3-azanylpropylamino)pentanoic acidChEBI
2-Amino-4-[(4-aminobutyl)amino]-butanoic acidKEGG COMPOUND
Manual XrefsDatabases
C18172KEGG COMPOUND
Citations