EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215879 - Mycinamicin XIII

ChEBI IDCHEBI:215879
ChEBI NameMycinamicin XIII
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H59NO13
Net Charge0
Average Mass713.862
Monoisotopic Mass713.39864
SMILESCO[C@@H]1[C@H](OC[C@]2(O)[C@H](C)OC(=O)C=C[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)C3O)[C@H](C)C[C@@H](C)C(=O)C=C[C@@H]3O[C@@H]32)OC(C)[C@H](O)[C@@H]1OC
InChIInChI=1S/C36H59NO13/c1-18-11-14-27(39)48-23(6)36(42,17-45-35-32(44-10)31(43-9)28(40)22(5)47-35)33-26(49-33)13-12-25(38)19(2)15-20(3)30(18)50-34-29(41)24(37(7)8)16-21(4)46-34/h11-14,18-24,26,28-35,40-42H,15-17H2,1-10H3/t18-,19+,20+,21+,22?,23-,24-,26-,28-,29?,30+,31-,32-,33-,34-,35+,36-/m0/s1
InChIKeyDDSYZRYNMPREDI-ZODGFYKSSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (1761425)
ChEBI Ontology
Outgoing Relation(s)
Mycinamicin XIII (CHEBI:215879) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(1S,2S,3S,8S,9S,10R,12R,16S)-9-[(2S,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-2-[[(2R,3S,4S,5S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione