CHEBI:224096 - Chetocochliodin 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 Chetocochliodin A
ChEBI ID CHEBI:224096
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H21N3O4S
Net Charge 0
Average Mass 363.430
Monoisotopic Mass 363.12528
InChI InChI=1S/C17H21N3O4S/c1-20-15(23)16(24-2,19-14(22)17(20,10-21)25-3)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9,18,21H,8,10H2,1-3H3,(H,19,22)/t16-,17+/m0/s1
InChIKey RCJGYNNSLLJVEG-DLBZAZTESA-N
SMILES S([C@]1(N(C(=O)[C@@](OC)(CC=2C3=C(C=CC=C3)NC2)NC1=O)C)CO)C
Metabolite of Species Details
Chaetomium cochliodes (NCBI:txid904709) See: PubMed
ChEBI Ontology
Outgoing Chetocochliodin A (CHEBI:224096) has functional parent α-amino acid (CHEBI:33704)
Chetocochliodin A (CHEBI:224096) is a organonitrogen compound (CHEBI:35352)
Chetocochliodin A (CHEBI:224096) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,6R)-6-(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-3-methoxy-1-methyl-6-methylsulanylpiperazine-2,5-dione