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CHEBI:220012 - Auroramycin

ChEBI IDCHEBI:220012
ChEBI NameAuroramycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H71N3O8
Net Charge0
Average Mass794.087
Monoisotopic Mass793.52412
SMILESCC1=C\C=C\C=C\[C@@](C)(O)[C@@H](O[C@@H]2OC[C@@H](O[C@H]3C[C@@](C)(O)[C@H](N(C)C)[C@@H](C)O3)[C@H](O)[C@H]2N)/C=C/C=C/C(C)=C/C=C/C(C)=C/C[C@H](C)NC(=O)/C(CC(C)C)=C\1
InChIInChI=1S/C46H71N3O8/c1-30(2)26-36-27-33(5)19-13-12-16-25-45(8,52)38(22-15-14-18-31(3)20-17-21-32(4)23-24-34(6)48-43(36)51)57-44-40(47)41(50)37(29-54-44)56-39-28-46(9,53)42(49(10)11)35(7)55-39/h12-23,25,27,30,34-35,37-42,44,50,52-53H,24,26,28-29,47H2,1-11H3,(H,48,51)/b13-12+,18-14+,21-17+,22-15+,25-16+,31-20+,32-23+,33-19+,36-27-/t34-,35+,37+,38-,39-,40+,41-,42+,44-,45+,46+/m0/s1
InChIKeySCXSAOWAWJDUND-IZYIPQKHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces filamentosus (ncbitaxon:67294) - PubMed (29799651)
ChEBI Ontology
Outgoing Relation(s)
Auroramycin (CHEBI:220012) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(3E,5E,7E,9E,11R,12S,13E,15E,17E,19E,21E,24S)-12-[(2S,3R,4R,5R)-3-amino-5-[(2S,4R,5R,6R)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-11-hydroxy-5,11,17,21,24-pentamethyl-3-(2-methylpropyl)-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one