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CHEBI:219156 - Mycinamicin XI

ChEBI IDCHEBI:219156
ChEBI NameMycinamicin XI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H70N2O16S
Net Charge0
Average Mass891.087
Monoisotopic Mass890.44461
SMILESCC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@@H]2OC(C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)CC(SC[C@@H](NC(C)=O)C(=O)O)[C@H]2O[C@@H]2[C@@]1(O)CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C42H70N2O16S/c1-12-30-42(52,19-55-41-37(54-11)36(53-10)32(48)24(6)57-41)38-35(59-38)29(61-18-26(39(50)51)43-25(7)45)17-28(46)21(3)15-22(4)34(20(2)13-14-31(47)58-30)60-40-33(49)27(44(8)9)16-23(5)56-40/h13-14,20-24,26-27,29-30,32-38,40-41,48-49,52H,12,15-19H2,1-11H3,(H,43,45)(H,50,51)/b14-13+/t20-,21+,22-,23?,24+,26+,27-,29?,30+,32+,33+,34+,35+,36+,37+,38-,40-,41+,42+/m0/s1
InChIKeyUGQQQUPACCVGRT-IDQALBJRSA-N
Species of MetaboliteComponentSourceComments
Micromonospora griseorubida (ncbitaxon:28040) - PubMed (1761425)
ChEBI Ontology
Outgoing Relation(s)
Mycinamicin XI (CHEBI:219156) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(2S)-2-acetamido-3-[[(1S,2R,3R,6E,8S,9S,10S,12R,16S)-9-[(2S,3R,4S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-6-en-15-yl]sulanyl]propanoic acid