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CHEBI:65086 - γ-L-glutamylbutirosin B(3+)

ChEBI IDCHEBI:65086
ChEBI Nameγ-L-glutamylbutirosin B(3+)
Stars
ASCII Namegamma-L-glutamylbutirosin B(3+)
DefinitionA primary ammonium ion obtained by protonation of the four amino groups and deprotonation of the carboxy group of γ-L-glutamylbutirosin B; major species at pH 7.3.
Last Modified13 March 2020
SubmitterKAX
DownloadsMolfile
FormulaC26H51N6O15
Net Charge+3
Average Mass687.721
Monoisotopic Mass687.33959
SMILES[NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](NC(=O)[C@@H](O)CCNC(=O)CC[C@H]([NH3+])C(=O)[O-])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O
InChIInChI=1S/C26H48N6O15/c27-6-12-17(37)19(39)15(30)25(44-12)46-21-9(29)5-10(16(36)22(21)47-26-20(40)18(38)13(7-33)45-26)32-23(41)11(34)3-4-31-14(35)2-1-8(28)24(42)43/h8-13,15-22,25-26,33-34,36-40H,1-7,27-30H2,(H,31,35)(H,32,41)(H,42,43)/p+3/t8-,9-,10+,11-,12+,13+,15+,16-,17+,18+,19+,20+,21+,22+,25+,26-/m0/s1
InChIKeyYGLNWHGPOZHVMV-BHZFYAMWSA-Q
ChEBI Ontology
Outgoing Relation(s)
γ-L-glutamylbutirosin B(3+) (CHEBI:65086) has functional parent neamine(4+) (CHEBI:65076)
γ-L-glutamylbutirosin B(3+) (CHEBI:65086) is a primary ammonium ion (CHEBI:65296)
γ-L-glutamylbutirosin B(3+) (CHEBI:65086) is conjugate acid of γ-L-glutamylbutirosin B (CHEBI:65108)
Incoming Relation(s)
γ-L-glutamylbutirosin B (CHEBI:65108) is conjugate base of γ-L-glutamylbutirosin B(3+) (CHEBI:65086)
IUPAC Name 
(2R)-2-ammonio-5-{[(3S)-4-{[(1R,2S,3R,4R,5S)-5-ammonio-4-[(2,6-diammonio-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-ribofuranosyloxy)cyclohexyl]amino}-3-hydroxy-4-oxobutyl]amino}-5-oxopentanoate
UniProt Name  Source
γ-L-glutamyl-butirosin BUniProt
Citations