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CHEBI:223274 - Cyanocycline A

ChEBI IDCHEBI:223274
ChEBI NameCyanocycline A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26N4O5
Net Charge0
Average Mass426.473
Monoisotopic Mass426.19032
SMILESCOC1=C(C)C(=O)C2=C(C1=O)[C@H](CO)N1[C@@H]3[C@@H]4[C@@H](C[C@@H]([C@@H]1C#N)N4C)[C@H]1OCCN1[C@H]23
InChIInChI=1S/C22H26N4O5/c1-9-19(28)15-14(20(29)21(9)30-3)13(8-27)26-12(7-23)11-6-10-16(24(11)2)18(26)17(15)25-4-5-31-22(10)25/h10-13,16-18,22,27H,4-6,8H2,1-3H3/t10-,11+,12+,13+,16+,17-,18-,22-/m1/s1
InChIKeyKDWXMIJUXUSUMZ-YDKAWLQJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7174530)
ChEBI Ontology
Outgoing Relation(s)
Cyanocycline A (CHEBI:223274) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(1S,3R,4R,9R,16R,18R,19S,21R)-16-(hydroxymethyl)-13-methoxy-12,20-dimethyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-21-carbonitrile