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CHEBI:224589 - 6108D

ChEBI IDCHEBI:224589
ChEBI Name6108D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H53NO9
Net Charge0
Average Mass607.785
Monoisotopic Mass607.37203
SMILESCC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@H](/C=C/C(C)=O)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C
InChIInChI=1S/C33H53NO9/c1-10-27-22(6)31-33(7,43-31)14-13-25(36)18(2)15-23(12-11-19(3)35)30(21(5)26(37)17-28(38)41-27)42-32-29(39)24(34(8)9)16-20(4)40-32/h11-14,18,20-24,26-27,29-32,37,39H,10,15-17H2,1-9H3/b12-11+,14-13+/t18-,20+,21+,22-,23+,24+,26-,27-,29+,30-,31+,32+,33+/m1/s1
InChIKeyGNNWPLDDEDZJFF-XGDSNQEYSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (2088343)
ChEBI Ontology
Outgoing Relation(s)
6108D (CHEBI:224589) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(1S,2R,3R,7R,8S,9S,10R,12R,14E,16S)-9-[(2S,3S,4S,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-10-[(E)-3-oxobut-1-enyl]-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione
Manual XrefsDatabases
78443222ChemSpider