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CHEBI:77350 - neopikromycin(1+)

ChEBI IDCHEBI:77350
ChEBI Nameneopikromycin(1+)
Stars
DefinitionAn organic cation obtained by protonation of the tertiary amino function of neopikromycin; major species at pH 7.3.
Last Modified30 April 2015
SubmitterKAX
DownloadsMolfile
FormulaC28H48NO8
Net Charge+1
Average Mass526.691
Monoisotopic Mass526.33744
SMILES[H][C@]1([C@@H](C)O)OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@H]1C
InChIInChI=1S/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/p+1/b11-10+/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28+/m1/s1
InChIKeySXXXXTQMWPXIES-VJNSTPMQSA-O
Species of MetaboliteComponentSourceComments
Streptomyces venezuelae (ncbitaxon:54571) - PubMed (16724858)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
neopikromycin(1+) (CHEBI:77350) has role bacterial metabolite (CHEBI:76969)
neopikromycin(1+) (CHEBI:77350) is a ammonium ion derivative (CHEBI:35274)
neopikromycin(1+) (CHEBI:77350) is a organic cation (CHEBI:25697)
neopikromycin(1+) (CHEBI:77350) is conjugate acid of neopikromycin (CHEBI:85614)
Incoming Relation(s)
neopikromycin (CHEBI:85614) is conjugate base of neopikromycin(1+) (CHEBI:77350)
IUPAC Name 
(3R,5R,6S,7S,9R,11E,13R,14S)-14-[(1R)-1-hydroxyethyl]-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranoside
UniProt Name  Source
neopikromycinUniProt
Manual XrefsDatabases
CPD-15997MetaCyc
Citations