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CHEBI:221821 - Nikkomycin pseudo-J

ChEBI IDCHEBI:221821
ChEBI NameNikkomycin pseudo-J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32N6O13
Net Charge0
Average Mass624.560
Monoisotopic Mass624.20274
SMILESC[C@H]([C@@H](N)C(=O)N[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)[C@@H]1O[C@H](c2cnc(=O)nc2=O)[C@H](O)[C@@H]1O)[C@@H](O)c1ccc(O)cn1
InChIInChI=1S/C25H32N6O13/c1-8(16(35)11-3-2-9(32)6-27-11)14(26)22(39)30-15(23(40)29-12(24(41)42)4-5-13(33)34)20-18(37)17(36)19(44-20)10-7-28-25(43)31-21(10)38/h2-3,6-8,12,14-20,32,35-37H,4-5,26H2,1H3,(H,29,40)(H,30,39)(H,33,34)(H,41,42)(H2,28,31,38,43)/t8-,12-,14-,15-,16-,17-,18+,19-,20+/m1/s1
InChIKeyZWCOQJINVKEJCM-PEHXEKCSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2722685)
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 pseudo-J (CHEBI:221821) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-2-[[(2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
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78442957ChemSpider