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CHEBI:76804 - 5-O-mycaminosyltylonolide(1+)

ChEBI IDCHEBI:76804
ChEBI Name5-O-mycaminosyltylonolide(1+)
Stars
ASCII Name5-O-mycaminosyltylonolide(1+)
DefinitionAn organic cation that is the conjugate acid of 5-O-mycaminosyltylonolide, obtained by protonation of the tertiary amino group; major species at pH 7.3.
Last Modified16 January 2014
SubmitterKAX
DownloadsMolfile
FormulaC31H52NO10
Net Charge+1
Average Mass598.754
Monoisotopic Mass598.35857
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]1CO
InChIInChI=1S/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/p+1/b10-9+,17-13+/t18-,19+,20-,21+,22-,24-,25-,27+,28-,29-,30-,31+/m1/s1
InChIKeyWGUJDBLMJBJUQU-VKRLOHBMSA-O
ChEBI Ontology
Outgoing Relation(s)
5-O-mycaminosyltylonolide(1+) (CHEBI:76804) is a ammonium ion derivative (CHEBI:35274)
5-O-mycaminosyltylonolide(1+) (CHEBI:76804) is a organic cation (CHEBI:25697)
5-O-mycaminosyltylonolide(1+) (CHEBI:76804) is conjugate acid of 5-O-mycaminosyltylonolide (CHEBI:77011)
Incoming Relation(s)
5-O-mycaminosyltylonolide (CHEBI:77011) is conjugate base of 5-O-mycaminosyltylonolide(1+) (CHEBI:76804)
IUPAC Name 
(4R,5S,6S,7R,9R,11E,13E,15R,16R)-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylazaniumyl)-β-D-glucopyranoside
UniProt Name  Source
5-O-β-D-mycaminosyltylonolideUniProt
Manual XrefsDatabases
CPD-15944MetaCyc
Citations