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CHEBI:220633 - 17-Methylenespiramycin

ChEBI IDCHEBI:220633
ChEBI Name17-Methylenespiramycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H74N2O14
Net Charge0
Average Mass855.076
Monoisotopic Mass854.51401
SMILESC=C(C=O)[C@H]1C[C@@H](C)C(OC2CCC(N(C)C)C(C)O2)/C=C\C=C/C[C@@H](C)OC(=O)CC(O)[C@H](OC)[C@H]1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1O
InChIInChI=1S/C44H74N2O14/c1-24-20-30(25(2)23-47)40(60-43-38(50)37(46(10)11)39(28(5)57-43)59-36-22-44(7,52)42(51)29(6)56-36)41(53-12)32(48)21-34(49)54-26(3)16-14-13-15-17-33(24)58-35-19-18-31(45(8)9)27(4)55-35/h13-15,17,23-24,26-33,35-43,48,50-52H,2,16,18-22H2,1,3-12H3/b14-13-,17-15-/t24-,26-,27?,28?,29?,30-,31?,32?,33?,35?,36?,37?,38?,39?,40+,41+,42?,43?,44?/m1/s1
InChIKeySPUCVXIQVCUVAK-BUOLHCRLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces ambofaciens (ncbitaxon:1889) - PubMed (8642006)
ChEBI Ontology
Outgoing Relation(s)
17-Methylenespiramycin (CHEBI:220633) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
2-[(5S,6S,7R,9R,11Z,13Z,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]prop-2-enal
Manual XrefsDatabases
78445211ChemSpider