EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:221197 - Nagstatin

ChEBI IDCHEBI:221197
ChEBI NameNagstatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H17N3O6
Net Charge0
Average Mass299.283
Monoisotopic Mass299.11174
SMILESCC(=O)N[C@H]1c2nc(CC(=O)O)cn2[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H17N3O6/c1-5(17)13-9-11(21)10(20)7(4-16)15-3-6(2-8(18)19)14-12(9)15/h3,7,9-11,16,20-21H,2,4H2,1H3,(H,13,17)(H,18,19)/t7-,9-,10-,11+/m1/s1
InChIKeyXPJWMTPRJTUTBX-WKJUBOCMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1429245)
ChEBI Ontology
Outgoing Relation(s)
Nagstatin (CHEBI:221197) is a imidazopyridine (CHEBI:46908)
IUPAC Name 
2-[(5R,6R,7S,8S)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid
Manual XrefsDatabases
78442903ChemSpider