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CHEBI:76802 - 5-O-β-D-mycaminosyltylactone(1+)

ChEBI IDCHEBI:76802
ChEBI Name5-O-β-D-mycaminosyltylactone(1+)
Stars
ASCII Name5-O-beta-D-mycaminosyltylactone(1+)
DefinitionAn organic cation that is the conjugate acid of 5-O-β-D-mycaminosyltylactone, obtained by protonation of the tertiary amino group; major species at pH 7.3.
Last Modified16 January 2014
SubmitterKAX
DownloadsMolfile
FormulaC31H54NO8
Net Charge+1
Average Mass568.772
Monoisotopic Mass568.38439
SMILESCC[C@H]1C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H]([NH+](C)C)[C@H]1O
InChIInChI=1S/C31H53NO8/c1-10-22-15-18(4)23(33)13-12-17(3)14-19(5)25(11-2)39-26(35)16-24(34)20(6)30(22)40-31-29(37)27(32(8)9)28(36)21(7)38-31/h12-14,18-22,24-25,27-31,34,36-37H,10-11,15-16H2,1-9H3/p+1/b13-12+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1
InChIKeyBMKVJAXXBOWJEE-BPFVPZITSA-O
ChEBI Ontology
Outgoing Relation(s)
5-O-β-D-mycaminosyltylactone(1+) (CHEBI:76802) is a ammonium ion derivative (CHEBI:35274)
5-O-β-D-mycaminosyltylactone(1+) (CHEBI:76802) is a organic cation (CHEBI:25697)
5-O-β-D-mycaminosyltylactone(1+) (CHEBI:76802) is conjugate acid of 5-O-β-D-mycaminosyltylactone (CHEBI:29491)
Incoming Relation(s)
5-O-β-D-mycaminosyltylactone (CHEBI:29491) is conjugate base of 5-O-β-D-mycaminosyltylactone(1+) (CHEBI:76802)
IUPAC Name 
(4R,5S,6S,7S,9R,11E,13E,15S,16R)-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylazaniumyl)-β-D-glucopyranoside
UniProt Name  Source
5-O-β-D-mycaminosyltylactoneUniProt