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CHEBI:76803 - 5-O-β-D-mycaminosyl-20-oxotylonolide(1+)

ChEBI IDCHEBI:76803
ChEBI Name5-O-β-D-mycaminosyl-20-oxotylonolide(1+)
Stars
ASCII Name5-O-beta-D-mycaminosyl-20-oxotylonolide(1+)
DefinitionAn organic cation that is the conjugate acid of 5-O-β-D-mycaminosyl-20-oxotylactone, obtained by protonation of the tertiary amino group; major species at pH 7.3.
Last Modified17 January 2014
SubmitterKAX
DownloadsMolfile
FormulaC31H52NO9
Net Charge+1
Average Mass582.755
Monoisotopic Mass582.36366
SMILESCC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H]([NH+](C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C
InChIInChI=1S/C31H51NO9/c1-9-25-19(4)14-17(2)10-11-23(34)18(3)15-22(12-13-33)30(20(5)24(35)16-26(36)40-25)41-31-29(38)27(32(7)8)28(37)21(6)39-31/h10-11,13-14,18-22,24-25,27-31,35,37-38H,9,12,15-16H2,1-8H3/p+1/b11-10+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1
InChIKeyFERSDKADYZRIAA-CQGKBTLCSA-O
ChEBI Ontology
Outgoing Relation(s)
5-O-β-D-mycaminosyl-20-oxotylonolide(1+) (CHEBI:76803) is a ammonium ion derivative (CHEBI:35274)
5-O-β-D-mycaminosyl-20-oxotylonolide(1+) (CHEBI:76803) is a organic cation (CHEBI:25697)
5-O-β-D-mycaminosyl-20-oxotylonolide(1+) (CHEBI:76803) is conjugate acid of 5-O-β-D-mycaminosyl-20-oxotylonolide (CHEBI:77009)
Incoming Relation(s)
5-O-β-D-mycaminosyl-20-oxotylonolide (CHEBI:77009) is conjugate base of 5-O-β-D-mycaminosyl-20-oxotylonolide(1+) (CHEBI:76803)
IUPAC Name 
(4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylazaniumyl)-β-D-glucopyranoside
UniProt Name  Source
20-oxo-5-O-β-D-mycaminosyltylonolideUniProt
Manual XrefsDatabases
CPD-15945MetaCyc