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CHEBI:224901 - Clifednamide E

ChEBI IDCHEBI:224901
ChEBI NameClifednamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36N2O7
Net Charge0
Average Mass524.614
Monoisotopic Mass524.25225
SMILESC[C@@H]1C[C@H]2[C@@H](C=C[C@@H]3[C@H]4C/C=C\C(=O)NCC[C@H](O)[C@@H]5NC(=O)C(=C(O)/C=C/[C@@H]4C[C@@H]32)C5=O)[C@@H]1C(=O)CO
InChIInChI=1S/C29H36N2O7/c1-14-11-19-18(25(14)23(35)13-32)7-6-17-16-3-2-4-24(36)30-10-9-22(34)27-28(37)26(29(38)31-27)21(33)8-5-15(16)12-20(17)19/h2,4-8,14-20,22,25,27,32-34H,3,9-13H2,1H3,(H,30,36)(H,31,38)/b4-2-,8-5+,26-21?/t14-,15-,16+,17-,18-,19+,20+,22+,25-,27+/m1/s1
InChIKeyXBYZKONYFNHZTI-FFUHIGGASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32915576)
ChEBI Ontology
Outgoing Relation(s)
Clifednamide E (CHEBI:224901) is a azamacrocycle (CHEBI:52898)
Clifednamide E (CHEBI:224901) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(3E,5S,7R,8R,10R,11R,12R,15R,16S,18Z,24S,25S)-2,24-dihydroxy-11-(2-hydroxyacetyl)-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione