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tylosin

MNXM4859 is deprecated and here replaced by MNXM1364104
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1364104 Image of MNXM1364104
referencechebi:77047
formulaC46H78NO17
global charge1
mol weight917.12
InChIKeyWBPYTXDJUQJLPQ-VMXQISHHSA-O
InChIInChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/p+1/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1
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]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[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[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
MNX internals
InChI (mnx)InChI=1/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1 Image of MNXM1364104
SMILES (mnx)[CH3:1][CH2:13][C@@H:33]1[C@@H:30]([CH2:22][O:58][C@H:45]2[C@H:42]([O:57][CH3:12])[C@H:41]([O:56][CH3:11])[C@H:37]([OH:52])[C@@H:26]([CH3:5])[O:60]2)/[CH:18]=[C:23]([CH3:2])/[CH:14]=[CH:15]/[C:31](=[O:49])[C@H:24]([CH3:3])[CH2:19][C@H:29]([CH2:16][CH:17]=[O:48])[C@H:39]([O:64][C@H:44]2[C@H:38]([OH:53])[C@@H:36]([N:47]([CH3:9])[CH3:10])[C@H:40]([O:63][C@H:35]3[CH2:21][C@@:46]([CH3:8])([OH:55])[C@@H:43]([OH:54])[C@H:28]([CH3:7])[O:59]3)[C@@H:27]([CH3:6])[O:61]2)[C@@H:25]([CH3:4])[C@H:32]([OH:50])[CH2:20][C:34](=[O:51])[O:62]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77047
chebi:77047
WBPYTXDJUQJLPQ-VMXQISHHSA-O 		tylosin
[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylazaniumyl)-beta-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside
tylosin(1+)

kegg.compound:C01457
keggC:C01457
WBPYTXDJUQJLPQ-VMXQISHHSA-N 		Tylosin

kegg.drug:D02490
keggD:D02490
WBPYTXDJUQJLPQ-VMXQISHHSA-N 		Tylosin (USP/INN)
TS
Tylan (TN)

seed.compound:cpd01036
seedM:cpd01036
WBPYTXDJUQJLPQ-VMXQISHHSA-O 		Tylosin
tylosin
tylosin A

CHEBI:17658
chebi:17658
WBPYTXDJUQJLPQ-VMXQISHHSA-N 		tylosin
Tylan
Tylocine
Tylosin
Tylosin A
[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyloxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside
tilosina
tylosine
tylosinum

metacyc.compound:TYLOSIN
metacycM:TYLOSIN
WBPYTXDJUQJLPQ-VMXQISHHSA-O 		tylosin
tylosin A

chebi:15275
chebi:27172
chebi:46150
chebi:9787
keggC:M_C01457
keggD:M_D02490
seedM:M_cpd01036 		secondary/obsolete/fantasy identifier