CHEBI:198211 - 10-[(2S,3S,4S,5S,6R)-4-amino-5-hydroxy-6-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,7,11-triethyl-azacyclotetradecan-2-one

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ChEBI Name 10-[(2S,3S,4S,5S,6R)-4-amino-5-hydroxy-6-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,7,11-triethyl-azacyclotetradecan-2-one
ChEBI ID CHEBI:198211
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C31H58N2O10
Net Charge 0
Average Mass 618.809
Monoisotopic Mass 618.40915
InChI InChI=1S/C31H58N2O10/c1-5-18-10-8-11-20(7-3)29(39)33-15-9-12-19(6-2)21(14-13-18)41-31-28(23(32)24(35)17(4)40-31)43-30-27(38)26(37)25(36)22(16-34)42-30/h17-28,30-31,34-38H,5-16,32H2,1-4H3,(H,33,39)/t17-,18?,19?,20?,21?,22-,23+,24-,25-,26+,27-,28+,30-,31-/m1/s1
InChIKey VSINHLXABDCMGP-TZAZQOALSA-N
SMILES O=C1NCCCC(C(O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)N)C)CCC(CCCC1CC)CC)CC
Metabolite of Species Details
Actinomadura (NCBI:txid1988) See: PubMed
ChEBI Ontology
Outgoing 10-[(2S,3S,4S,5S,6R)-4-amino-5-hydroxy-6-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,7,11-triethyl-azacyclotetradecan-2-one (CHEBI:198211) is a aminoglycoside (CHEBI:47779)
IUPAC Name
10-[(2S,3S,4S,5S,6R)-4-amino-5-hydroxy-6-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,7,11-triethyl-azacyclotetradecan-2-one
Manual Xref Database
78445655 ChemSpider
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