CHEBI:220633 - 17-Methylenespiramycin

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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 17-Methylenespiramycin
ChEBI ID CHEBI:220633
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H74N2O14
Net Charge 0
Average Mass 855.076
Monoisotopic Mass 854.51401
InChI InChI=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
InChIKey SPUCVXIQVCUVAK-BUOLHCRLSA-N
SMILES O=C1O[C@@H](CC=CC=CC(OC2OC(C(N(C)C)CC2)C)[C@@H](C[C@@H]([C@@H]([C@H](C(C1)O)OC)OC3OC(C(OC4OC(C(O)C(C4)(O)C)C)C(C3O)N(C)C)C)C(C=O)=C)C)C
Metabolite of Species Details
Streptomyces ambofaciens (NCBI:txid1889) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78445211 ChemSpider
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