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CHEBI:77351 - novapikromycin(1+)

ChEBI IDCHEBI:77351
ChEBI Namenovapikromycin(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of novapikromycin, obtained by protonation of the tertiary amino group; major species at pH 7.3.
Last Modified11 March 2014
SubmitterKAX
DownloadsMolfile
FormulaC28H48NO9
Net Charge+1
Average Mass542.690
Monoisotopic Mass542.33236
SMILESC[C@H]1C(=O)O[C@H]([C@@H](C)O)[C@@](C)(O)/C=C/C(=O)[C@H](C)C[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@H](C)C1=O
InChIInChI=1S/C28H47NO9/c1-14-12-15(2)24(37-27-23(33)20(29(8)9)13-16(3)36-27)17(4)22(32)18(5)26(34)38-25(19(6)30)28(7,35)11-10-21(14)31/h10-11,14-20,23-25,27,30,33,35H,12-13H2,1-9H3/p+1/b11-10+/t14-,15+,16-,17+,18-,19-,20+,23-,24+,25-,27+,28+/m1/s1
InChIKeyJGNNRPWTNULSRW-BLNRMBNUSA-O
ChEBI Ontology
Outgoing Relation(s)
novapikromycin(1+) (CHEBI:77351) is a ammonium ion derivative (CHEBI:35274)
novapikromycin(1+) (CHEBI:77351) is a organic cation (CHEBI:25697)
novapikromycin(1+) (CHEBI:77351) is conjugate acid of novapikromycin (CHEBI:77648)
Incoming Relation(s)
novapikromycin (CHEBI:77648) is conjugate base of novapikromycin(1+) (CHEBI:77351)
IUPAC Name 
(3R,5R,6S,7S,9R,11E,13S,14R)-13-hydroxy-14-[(1R)-1-hydroxyethyl]-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranoside
UniProt Name  Source
novapikromycinUniProt
Manual XrefsDatabases
CPD-15996MetaCyc
Citations