pantocin A (CHEBI:172375)

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ChEBI Name	pantocin A

ChEBI ID	CHEBI:172375

Definition	A member of the class of indolizines that is 3,5,6,7-tetrahydroindolizine which carries a 2-aminoacyl-4-amino-4-oxobutanoic acid, oxo, amino groups at positions 3S, 5 and 6S, respectively. It is a ribosomally encoded and post-translationally modified peptide natural product found in several species of the Pantoea genus and derived from a Glu-Glu-Asn precursor peptide.

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

Submitter	Martin Larralde

Supplier Information

Download	Molfile XML SDF

Formula

C13H16N4O5

Net Charge

Average Mass

308.294

Monoisotopic Mass

308.11207

InChI

InChI=1S/C13H16N4O5/c14-7-3-1-6-2-4-9(17(6)12(7)20)11(19)16-8(13(21)22)5-10(15)18/h1-2,4,7-9H,3,5,14H2,(H2,15,18)(H,16,19)(H,21,22)/t7-,8-,9-/m0/s1

InChIKey

XSESHFKIXVTLOJ-CIUDSAMLSA-N

SMILES

[H][C@]1(C=CC2=CC[C@H](N)C(=O)N12)C(=O)N[C@@H](CC(N)=O)C(O)=O

Metabolite of Species	Details
Pantoea agglomerans (NCBI:txid549)	of strain Tx10 See: PubMed
Pantoea agglomerans (NCBI:txid549)	of strain Eh318 See: PubMed
Pantoea agglomerans (NCBI:txid549)	of strain E325 See: PubMed
Pantoea agglomerans (NCBI:txid549)	of strain P10c See: PubMed
Pantoea vagans (NCBI:txid712898)	of strain C9-1 See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. EC 2.6.1.11 (acetylornithine transaminase) inhibitor An EC 2.6.1.* (transaminase) inhibitor that interferes with the action of acetylornithine transaminase (EC 2.6.1.11).

ChEBI Ontology
Outgoing	pantocin A (CHEBI:172375) has role antibacterial agent (CHEBI:33282) pantocin A (CHEBI:172375) has role bacterial metabolite (CHEBI:76969) pantocin A (CHEBI:172375) has role EC 2.6.1.11 (acetylornithine transaminase) inhibitor (CHEBI:172919) pantocin A (CHEBI:172375) is a indolizines (CHEBI:38485) pantocin A (CHEBI:172375) is a monocarboxylic acid (CHEBI:25384) pantocin A (CHEBI:172375) is a primary amino compound (CHEBI:50994) pantocin A (CHEBI:172375) is a primary carboxamide (CHEBI:140324) pantocin A (CHEBI:172375) is a secondary carboxamide (CHEBI:140325)

IUPAC Name

N²-{[(3S,6S)-6-amino-5-oxo-3,5,6,7-tetrahydroindolizin-3-yl]carbonyl}-L-asparagine

Synonym	Source
(2S)-4-amino-2-({[(3S,6S)-6-amino-5-oxo-3,5,6,7-tetrahydroindolizin-3-yl]carbonyl}amino)-4-oxobutanoic acid	IUPAC

Last Modified

17 May 2021