CHEBI:226334 - Cyanocycline D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cyanocycline D
ChEBI ID CHEBI:226334
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H27N5O5
Net Charge 0
Average Mass 453.499
Monoisotopic Mass 453.20122
InChI InChI=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
InChIKey WTMKTMCADOSNBQ-ANMJZIKASA-N
SMILES O=C1C(OC)=C(C(=O)C2=C1[C@H](N3[C@H](C#N)[C@H]4C[C@H]5C(N([C@@H]2[C@@H]3[C@H]5N4C)CCO)C#N)CO)C
Metabolite of Species Details
Streptomyces lusitanus (NCBI:txid68232) See: DOI
ChEBI Ontology
Outgoing 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