EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:229577 - N1-[(S)-3-amino-3-carboxypropyl]agmatine(2+)

ChEBI IDCHEBI:229577
ChEBI NameN1-[(S)-3-amino-3-carboxypropyl]agmatine(2+)
Stars
ASCII NameN(1)-[(S)-3-amino-3-carboxypropyl]agmatine(2+)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC9H23N5O2
Net Charge+2
Average Mass233.316
Monoisotopic Mass233.18408
SMILESNC(=[NH2+])NCCCC[NH2+]CC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C9H21N5O2/c10-7(8(15)16)3-6-13-4-1-2-5-14-9(11)12/h7,13H,1-6,10H2,(H,15,16)(H4,11,12,14)/p+2/t7-/m0/s1
InChIKeyQFUFHOKZTAVOFF-ZETCQYMHSA-P
ChEBI Ontology
Outgoing Relation(s)
N1-[(S)-3-amino-3-carboxypropyl]agmatine(2+) (CHEBI:229577) is a guanidinium ion (CHEBI:60251)
Synonym  Source
carboxyaminopropylagmatineSUBMITTER
UniProt Name  Source
N1-[(S)-3-amino-3-carboxypropyl]agmatineUniProt
Manual XrefsDatabases
CPD2PN3-12MetaCyc
Citations