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CHEBI:227857 - Concanamycin E

ChEBI IDCHEBI:227857
ChEBI NameConcanamycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H71NO14
Net Charge0
Average Mass838.045
Monoisotopic Mass837.48746
SMILESC/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C/[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](C)C/C(C)=C\C=C/[C@@H]2OC)CC(OC2CC(O)C(OC(N)=O)C(C)O2)[C@@H]1C
InChIInChI=1S/C44H71NO14/c1-12-14-34-27(6)37(56-38-21-33(48)41(30(9)55-38)58-43(45)51)22-44(52,59-34)29(8)39(49)28(7)40-35(53-10)16-13-15-23(2)17-25(4)31(46)20-32(47)26(5)18-24(3)19-36(54-11)42(50)57-40/h12-16,18-19,25-35,37-41,46-49,52H,17,20-22H2,1-11H3,(H2,45,51)/b14-12+,16-13-,23-15-,24-18-,36-19+/t25-,26-,27-,28+,29+,30?,31-,32+,33?,34-,35+,37?,38?,39-,40-,41?,44-/m1/s1
InChIKeyNNJUTDASDBXCIX-MWANFJFHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1517155)
ChEBI Ontology
Outgoing Relation(s)
Concanamycin E (CHEBI:227857) is a macrolide (CHEBI:25106)
IUPAC Name 
[6-[(2R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4Z,6Z,9R,10R,12S,13R,14Z,16E)-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate
Manual XrefsDatabases
78445330ChemSpider