N(1)-acetylspermidine (CHEBI:17927)

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ChEBI Name	N¹-acetylspermidine

ChEBI ID	CHEBI:17927

ChEBI ASCII Name	N(1)-acetylspermidine

Definition	An acetylspermidine having the acetyl group at the N1-position.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:12625, CHEBI:21798, CHEBI:7356

Supplier Information	ChemicalBook:CB74839876, ChemicalBook:CB1439212, ChemicalBook:CB9741267, ChemicalBook:CB3446016, ChemicalBook:CB7307797, eMolecules:474896, ZINC000000895281

Download	Molfile XML SDF

Formula

C9H21N3O

Net Charge

Average Mass

187.28266

Monoisotopic Mass

187.16846

InChI

InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)

InChIKey

MQTAVJHICJWXBR-UHFFFAOYSA-N

SMILES

CC(=O)NCCCNCCCCN

Metabolite of Species	Details
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	N¹-acetylspermidine (CHEBI:17927) has role Escherichia coli metabolite (CHEBI:76971) N¹-acetylspermidine (CHEBI:17927) has role metabolite (CHEBI:25212) N¹-acetylspermidine (CHEBI:17927) is a acetylspermidine (CHEBI:22204) N¹-acetylspermidine (CHEBI:17927) is conjugate base of N¹-acetylspermidinium(2+) (CHEBI:58324)

Incoming	N¹-acetylspermidinium(2+) (CHEBI:58324) is conjugate acid of N¹-acetylspermidine (CHEBI:17927)

IUPAC Name

N-{3-[(4-aminobutyl)amino]propyl}acetamide

Last Modified

25 January 2016