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CHEBI:143427 - 2,6-diamino-1-{[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4-(piperidin-1-yl)pyrimidin-1-ium

ChEBI IDCHEBI:143427
ChEBI Name2,6-diamino-1-{[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4-(piperidin-1-yl)pyrimidin-1-ium
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DownloadsMolfile
FormulaC15H24N5O7
Net Charge+1
Average Mass386.385
Monoisotopic Mass386.16702
SMILESNc1cc(N2CCCCC2)nc(N)[n+]1OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H23N5O7/c16-7-6-8(19-4-2-1-3-5-19)18-15(17)20(7)27-14-11(23)9(21)10(22)12(26-14)13(24)25/h6,9-12,14,21-23H,1-5H2,(H4,16,17,18,24,25)/p+1/t9-,10-,11+,12-,14?/m0/s1
InChIKeyLROBBFGRUDJFDG-ZAOAHOKWSA-O
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2,6-diamino-1-{[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4-(piperidin-1-yl)pyrimidin-1-ium (CHEBI:143427) is a dialkylarylamine (CHEBI:23665)
2,6-diamino-1-{[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4-(piperidin-1-yl)pyrimidin-1-ium (CHEBI:143427) is a tertiary amino compound (CHEBI:50996)