CHEBI:212533 - 13-N-demethylteleocidin A1

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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 13-N-demethylteleocidin A1
ChEBI ID CHEBI:212533
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H37N3O2
Net Charge 0
Average Mass 423.601
Monoisotopic Mass 423.28858
InChI InChI=1S/C26H37N3O2/c1-7-26(6,12-8-9-16(2)3)20-10-11-21-22-18(14-27-24(20)22)13-19(15-30)28-25(31)23(29-21)17(4)5/h7,9-11,14,17,19,23,27,29-30H,1,8,12-13,15H2,2-6H3,(H,28,31)/t19-,23-,26-/m0/s1
InChIKey KWVWOXJGHDYSDZ-CZZAQMAHSA-N
SMILES O=C1N[C@@H](CC2=CNC=3C2=C(N[C@H]1C(C)C)C=CC3[C@@](C=C)(CCC=C(C)C)C)CO
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing 13-N-demethylteleocidin A1 (CHEBI:212533) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(10S,13S)-5-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one