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CHEBI:172375 - pantocin A

ChEBI IDCHEBI:172375
ChEBI Namepantocin A
Stars
DefinitionA 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.
Last Modified17 May 2021
SubmitterMartin Larralde
DownloadsMolfile
FormulaC13H16N4O5
Net Charge0
Average Mass308.294
Monoisotopic Mass308.11207
SMILES[H][C@@]1(C(=O)N[C@@H](CC(N)=O)C(=O)O)C=CC2=CC[C@H](N)C(=O)N21
InChIInChI=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
InChIKeyXSESHFKIXVTLOJ-CIUDSAMLSA-N
Species of MetaboliteComponentSourceComments
Pantoea agglomerans (ncbitaxon:549)
- PubMed (30868174) Strain: E325
- PubMed (30868174) Strain: P10c
- PubMed (32416447) Strain: Tx10
- PubMed (11133457) Strain: Eh318
Pantoea vagans (ncbitaxon:712898) - PubMed (30868174) Strain: C9-1
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).
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in 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).
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
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 acidIUPAC
Citations