EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226334 - Cyanocycline D

ChEBI IDCHEBI:226334
ChEBI NameCyanocycline D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27N5O5
Net Charge0
Average Mass453.499
Monoisotopic Mass453.20122
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(C#N)N(CCO)[C@@H]23
InChIInChI=1S/C23H27N5O5/c1-10-21(31)17-16(22(32)23(10)33-3)15(9-30)28-14(8-25)12-6-11-13(7-24)27(4-5-29)19(17)20(28)18(11)26(12)2/h11-15,18-20,29-30H,4-6,9H2,1-3H3/t11-,12+,13?,14+,15+,18-,19-,20-/m0/s1
InChIKeyWTMKTMCADOSNBQ-ANMJZIKASA-N
Species of MetaboliteComponentSourceComments
Streptomyces lusitanus (ncbitaxon:68232) - DOI (10.1021/np50098a006)
ChEBI Ontology
Outgoing Relation(s)
Cyanocycline D (CHEBI:226334) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(1R,3R,6S,13S,15S,16S,18S)-5-(2-hydroxyethyl)-13-(hydroxymethyl)-10-methoxy-9,17-dimethyl-8,11-dioxo-5,14,17-triazapentacyclo[12.3.1.03,16.06,15.07,12]octadeca-7(12),9-diene-4,18-dicarbonitrile