CHEBI:215879 - Mycinamicin XIII

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Mycinamicin XIII
ChEBI ID CHEBI:215879
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H59NO13
Net Charge 0
Average Mass 713.862
Monoisotopic Mass 713.39864
InChI InChI=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
InChIKey DDSYZRYNMPREDI-ZODGFYKSSA-N
SMILES O=C1O[C@H]([C@](O)([C@H]2O[C@H]2C=CC(=O)[C@@H](C[C@H]([C@@H]([C@H](C=C1)C)O[C@@H]3O[C@@H](C[C@@H](C3O)N(C)C)C)C)C)CO[C@@H]4OC([C@H](O)[C@@H]([C@@H]4OC)OC)C)C
Metabolite of Species Details
Micromonospora (NCBI:txid1873) See: PubMed
ChEBI Ontology
Outgoing 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