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gamma-L-glutamyl-butirosin B

PropertiesImage
MNX_IDMNXM11634 Image of MNXM11634
referencechebi:65086
formulaC26H51N6O15
global charge3
mol weight687.721
InChIKeyYGLNWHGPOZHVMV-BHZFYAMWSA-Q
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
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
MNX internals
InChI (mnx)InChI=1/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)/t8-,9-,10+,11-,12+,13+,15+,16-,17+,18+,19+,20+,21+,22+,25+,26-/m0/s1 Image of MNXM11634
SMILES (mnx)[CH2:1]([CH2:2][C:14](=[N:31][CH2:4][CH2:3][C@@H:11]([C:23](=[N:32][C@@H:10]1[CH2:5][C@H:9]([NH2:29])[C@@H:21]([O:46][C@@H:25]2[C@H:15]([NH2:30])[C@@H:19]([OH:39])[C@H:17]([OH:37])[C@@H:12]([CH2:6][NH2:27])[O:44]2)[C@H:22]([O:47][C@H:26]2[C@H:20]([OH:40])[C@H:18]([OH:38])[C@@H:13]([CH2:7][OH:33])[O:45]2)[C@H:16]1[OH:36])[OH:41])[OH:34])[OH:35])[C@@H:8]([C:24](=[O:42])[OH:43])[NH2:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65086
chebi:65086
YGLNWHGPOZHVMV-BHZFYAMWSA-Q 		gamma-L-glutamyl-butirosin B
(2R)-2-ammonio-5-{[(3S)-4-{[(1R,2S,3R,4R,5S)-5-ammonio-4-[(2,6-diammonio-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-ribofuranosyloxy)cyclohexyl]amino}-3-hydroxy-4-oxobutyl]amino}-5-oxopentanoate
gamma-L-glutamylbutirosin B(3+)

kegg.compound:C18005
keggC:C18005
YGLNWHGPOZHVMV-BHZFYAMWSA-N 		gamma-L-Glutamyl-butirosin B

seed.compound:cpd17989
seedM:cpd17989
YGLNWHGPOZHVMV-BHZFYAMWSA-Q 		gamma-L-Glutamyl-butirosin B
4-glutamyl-(S)-2-hydroxy-4-aminobutanoyl-ribostamycin
gamma-L-glutamyl-butirosin B

metacyc.compound:CPD-14191
metacycM:CPD-14191
YGLNWHGPOZHVMV-NFQIMPJESA-Q 		gamma-L-glutamyl-butirosin B
4-glutamyl-(S)-2-hydroxy-4-aminobutanoyl-ribostamycin

CHEBI:65108
chebi:65108
YGLNWHGPOZHVMV-BHZFYAMWSA-N 		gamma-L-glutamylbutirosin B
(1R,2R,3S,4R,6S)-6-amino-4-{[(2S)-4-(L-gamma-glutamylamino)-2-hydroxybutanoyl]amino}-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside
gamma-L-Glutamyl-butirosin B

keggC:M_C18005
seedM:M_cpd17989 		secondary/obsolete/fantasy identifier