CHEBI:218696 - (-)-brevianamide X

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 (-)-brevianamide X
ChEBI ID CHEBI:218696
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H23N3O4
Net Charge 0
Average Mass 381.432
Monoisotopic Mass 381.16886
InChI InChI=1S/C21H23N3O4/c1-4-20(2,3)17-13(12-7-5-6-8-14(12)22-17)11-15-18(26)24-10-9-16(25)21(24,28)19(27)23-15/h4-8,11,16,22,25,28H,1,9-10H2,2-3H3,(H,23,27)/b15-11-/t16-,21-/m1/s1
InChIKey LCBNOKFBMBJQFX-JCPGYPOLSA-N
SMILES O=C/1N2[C@](O)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@H](O)CC2
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing (-)-brevianamide X (CHEBI:218696) has functional parent α-amino acid (CHEBI:33704)
(-)-brevianamide X (CHEBI:218696) is a organonitrogen compound (CHEBI:35352)
(-)-brevianamide X (CHEBI:218696) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3Z,8R,8aR)-8,8a-dihydroxy-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-1,4-dione
Manual Xref Database
71116023 ChemSpider
View more database links