OntologieschebiclassesCHEBI:172375   
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pantocin A
http://purl.obolibrary.org/obo/CHEBI_172375

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.

Also appears inslm
Exact Synonyms
N(2)-{[(3S,6S)-6-amino-5-oxo-3,5,6,7-tetrahydroindolizin-3-yl]carbonyl}-L-asparagine
Related Synonyms
(2S)-4-amino-2-({[(3S,6S)-6-amino-5-oxo-3,5,6,7-tetrahydroindolizin-3-yl]carbonyl}amino)-4-oxobutanoic acid
class Information
charge

0

formula

C13H16N4O5

has_obo_namespace

chebi_ontology

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

in_subset

3_STAR

mass

308.294

monoisotopicmass

308.11207

smiles

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

class Relations