CHEBI:65072 - carboxyspermidine(2+)

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ChEBI Name carboxyspermidine(2+) ChEBI ID CHEBI:65072 Definition The 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Anne Morgat Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H21N3O2 Net Charge +2 Average Mass 191.27120 Monoisotopic Mass 191.16228 InChI InChI=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 InChIKey ICLFWLHIBPQMFT-ZETCQYMHSA-P SMILES [NH3+]CCCC[NH2+]CC[C@H]([NH3+])C([O-])=O ChEBI Ontology Outgoing carboxyspermidine(2+) (CHEBI:65072) is a α-amino-acid cation (CHEBI:33719) carboxyspermidine(2+) (CHEBI:65072) is conjugate acid of carboxyspermidine (CHEBI:66868) Incoming carboxyspermidine (CHEBI:66868) is conjugate base of carboxyspermidine(2+) (CHEBI:65072) IUPAC Name (2S)-2-azaniumyl-5-[(3-azaniumylpropyl)azaniumyl]pentanoate Synonyms Sources (2S)-2-ammonio-5-[(3-ammoniopropyl)ammonio]pentanoate IUPAC carboxyspermidine UniProt Manual Xref Database CPD-10012 MetaCyc View more database links Citation Type Source 19196710 PubMed citation SUBMITTER Last Modified 24 August 2012