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CHEBI:77354 - novamethymycin(1+)

ChEBI IDCHEBI:77354
ChEBI Namenovamethymycin(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of novamethymycin, obtained by protonation of the tertiary amino group; major species at pH 7.3.
Last Modified11 March 2014
SubmitterKAX
DownloadsMolfile
FormulaC25H44NO8
Net Charge+1
Average Mass486.626
Monoisotopic Mass486.30614
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@](C)(O)[C@@H]([C@@H](C)O)OC(=O)[C@@H]2C)O1
InChIInChI=1S/C25H43NO8/c1-13-11-14(2)21(33-24-20(29)18(26(7)8)12-15(3)32-24)16(4)23(30)34-22(17(5)27)25(6,31)10-9-19(13)28/h9-10,13-18,20-22,24,27,29,31H,11-12H2,1-8H3/p+1/b10-9+/t13-,14+,15-,16-,17-,18+,20-,21+,22-,24+,25+/m1/s1
InChIKeyHYJMTIGQCJGKFQ-CGNAQTDSSA-O
ChEBI Ontology
Outgoing Relation(s)
novamethymycin(1+) (CHEBI:77354) is a ammonium ion derivative (CHEBI:35274)
novamethymycin(1+) (CHEBI:77354) is a organic cation (CHEBI:25697)
novamethymycin(1+) (CHEBI:77354) is conjugate acid of novamethymycin (CHEBI:77652)
Incoming Relation(s)
novamethymycin (CHEBI:77652) is conjugate base of novamethymycin(1+) (CHEBI:77354)
IUPAC Name 
(3R,4S,5S,7R,9E,11R,12S)-11-hydroxy-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
novamethymycinUniProt
Manual XrefsDatabases
CPD-15998MetaCyc
Citations