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CHEBI:77353 - neomethymycin(1+)

ChEBI IDCHEBI:77353
ChEBI Nameneomethymycin(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of neomethymycin, obtained by protonation of the tertiary amino group; major species at pH 7.3.
Last Modified11 March 2014
SubmitterKAX
DownloadsMolfile
FormulaC25H44NO7
Net Charge+1
Average Mass470.627
Monoisotopic Mass470.31123
SMILESC[C@@H]1C[C@H]([NH+](C)C)[C@@H](O)[C@H](O[C@H]2[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@@H](C)[C@@H]([C@@H](C)O)OC(=O)[C@@H]2C)O1
InChIInChI=1S/C25H43NO7/c1-13-9-10-20(28)14(2)11-15(3)22(17(5)24(30)32-23(13)18(6)27)33-25-21(29)19(26(7)8)12-16(4)31-25/h9-10,13-19,21-23,25,27,29H,11-12H2,1-8H3/p+1/b10-9+/t13-,14-,15+,16-,17-,18-,19+,21-,22+,23+,25+/m1/s1
InChIKeyUEIVQYHYALXCBD-OTUJEKPESA-O
ChEBI Ontology
Outgoing Relation(s)
neomethymycin(1+) (CHEBI:77353) is a ammonium ion derivative (CHEBI:35274)
neomethymycin(1+) (CHEBI:77353) is a organic cation (CHEBI:25697)
neomethymycin(1+) (CHEBI:77353) is conjugate acid of neomethymycin (CHEBI:29656)
Incoming Relation(s)
neomethymycin (CHEBI:29656) is conjugate base of neomethymycin(1+) (CHEBI:77353)
IUPAC Name 
(3R,4S,5S,7R,9E,11R,12S)-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranoside
UniProt Name  Source
neomethymycinUniProt
Manual XrefsDatabases
CPD-13833MetaCyc
Citations