CHEBI:207239 - Eutypellazine A

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 Eutypellazine A
ChEBI ID CHEBI:207239
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H20N2O5S2
Net Charge 0
Average Mass 420.500
Monoisotopic Mass 420.08136
InChI InChI=1S/C19H20N2O5S2/c1-27-18-6-8-3-2-4-10(22)13(8)20(18)17(26)19-7-9-11(23)5-12(28-19)15(24)14(9)21(19)16(18)25/h2-4,9-10,12-15,22,24H,5-7H2,1H3/t9-,10-,12+,13-,14-,15-,18+,19+/m0/s1
InChIKey WOGNSAFTZOQNFX-XRRZBRONSA-N
SMILES S1[C@@]23N(C(=O)[C@]4(SC)CC=5[C@H](N4C2=O)[C@@H](O)C=CC5)[C@@H]6[C@H]([C@H]1CC(=O)[C@@H]6C3)O
Metabolite of Species Details
Eutypella (NCBI:txid140192) See: DOI
ChEBI Ontology
Outgoing Eutypellazine A (CHEBI:207239) has functional parent α-amino acid (CHEBI:33704)
Eutypellazine A (CHEBI:207239) is a organonitrogen compound (CHEBI:35352)
Eutypellazine A (CHEBI:207239) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,4S,5S,11R,14S,15R,16R,19R)-5,15-dihydroxy-11-methylsulanyl-21-thia-3,13-diazahexacyclo[14.4.1.01,13.03,11.04,9.014,19]henicosa-6,8-diene-2,12,18-trione
Manual Xref Database
62277926 ChemSpider
View more database links