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CHEBI:219150 - Mycinamicin X

ChEBI IDCHEBI:219150
ChEBI NameMycinamicin X
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H70N2O15S
Net Charge0
Average Mass875.088
Monoisotopic Mass874.44969
SMILESCCC1OC(=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@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C42H70N2O15S/c1-12-30-26(18-54-42-39(53-11)38(52-10)33(48)24(6)56-42)36-37(58-36)31(60-19-27(40(50)51)43-25(7)45)17-29(46)21(3)15-22(4)35(20(2)13-14-32(47)57-30)59-41-34(49)28(44(8)9)16-23(5)55-41/h13-14,20-24,26-28,30-31,33-39,41-42,48-49H,12,15-19H2,1-11H3,(H,43,45)(H,50,51)/b14-13-/t20-,21+,22-,23?,24+,26+,27+,28-,30?,31?,33+,34+,35+,36-,37+,38+,39+,41-,42+/m0/s1
InChIKeyAUJBLORQUYXAHV-PHQNHXSRSA-N
Species of MetaboliteComponentSourceComments
Micromonospora griseorubida (ncbitaxon:28040) - PubMed (1761425)
ChEBI Ontology
Outgoing Relation(s)
Mycinamicin X (CHEBI:219150) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(2S)-2-acetamido-3-[[(1S,2R,6Z,8S,9S,10S,12R,16S)-9-[(2S,3R,4S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-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