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CHEBI:222689 - Nikkomycin QX

ChEBI IDCHEBI:222689
ChEBI NameNikkomycin QX
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32N6O12
Net Charge0
Average Mass596.550
Monoisotopic Mass596.20782
SMILESC[C@@H]([C@H](N)C(=O)N[C@H](C(=O)N[C@H](CCO)C(=O)O)[C@@H]1O[C@H](n2cc(C=O)nc2=O)[C@H](O)[C@@H]1O)[C@@H](O)c1ccc(O)cn1
InChIInChI=1S/C24H32N6O12/c1-9(16(34)12-3-2-11(33)6-26-12)14(25)20(37)29-15(21(38)28-13(4-5-31)23(39)40)19-17(35)18(36)22(42-19)30-7-10(8-32)27-24(30)41/h2-3,6-9,13-19,22,31,33-36H,4-5,25H2,1H3,(H,27,41)(H,28,38)(H,29,37)(H,39,40)/t9-,13+,14-,15-,16+,17-,18+,19-,22-/m0/s1
InChIKeyAXLSHTZCWKCFBP-CXFJNYAYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3972731)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nikkomycin QX (CHEBI:222689) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-2-[[(2S)-2-[[(2S,3S,4R)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[(2S,3S,4R,5S)-5-(5-ormyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]-4-hydroxybutanoic acid
Manual XrefsDatabases
78443031ChemSpider