pantocin A

CHEBI:172375 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

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. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:140324 CHEBI:140324
CHEBI:140325 CHEBI:140325
CHEBI:25384 CHEBI:25384
CHEBI:38485 CHEBI:38485
CHEBI:50994 CHEBI:50994

Chemical structure

Computed structure properties
Molecular formula	C13H16N4O5
Charge	0
Average mass	308.294 Da
Monoisotopic mass	308.11207 Da
Source	ChEBI
InChIKey	XSESHFKIXVTLOJ-CIUDSAMLSA-N

SMILES

[H][C@@]1(C(=O)N[C@@H](CC(N)=O)C(=O)O)C=CC2=CC[C@H](N)C(=O)N21

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

Also called

N2-{[(3S,6S)-6-amino-5-oxo-3,5,6,7-tetrahydroindolizin-3-yl]carbonyl}-L-asparagine (EXACT_SYNONYM)— chebi
(2S)-4-amino-2-({[(3S,6S)-6-amino-5-oxo-3,5,6,7-tetrahydroindolizin-3-yl]carbonyl}amino)-4-oxobutanoic acid (EXACT_SYNONYM)— chebi

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:33282 CHEBI:33282

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:172375`	pantocin A	`antibioticmech:chebi-077695d339`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.