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CHEBI:199074 - Uncialamycin

ChEBI IDCHEBI:199074
ChEBI NameUncialamycin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H17NO6
Net Charge0
Average Mass439.423
Monoisotopic Mass439.10559
SMILESCC(O)[C@@]12O[C@]13c1cc(O)c4c(c1N[C@H]2C#C/C=C\C#C[C@H]3O)C(=O)c1ccccc1C4=O
InChIInChI=1S/C26H17NO6/c1-13(28)25-18-10-4-2-3-5-11-19(30)26(25,33-25)16-12-17(29)20-21(22(16)27-18)24(32)15-9-7-6-8-14(15)23(20)31/h2-3,6-9,12-13,18-19,27-30H,1H3/b3-2-/t13?,18-,19+,25-,26-/m0/s1
InChIKeyOBGWIHKWGGEOEV-YFRVKLFPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces uncialis (ncbitaxon:1048205) - PubMed (16268546)
ChEBI Ontology
Outgoing Relation(s)
Uncialamycin (CHEBI:199074) is a 6-hydroxy steroid (CHEBI:36849)
IUPAC Name 
(1S,17S,20Z,24R,26R)-4,24-dihydroxy-26-(1-hydroxyethyl)-25-oxa-16-azahexacyclo[15.7.2.01,26.02,15.05,14.07,12]hexacosa-2,4,7,9,11,14,20-heptaen-18,22-diyne-6,13-dione
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