CHEBI:224102 - Chetocochliodin B

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ChEBI Name Chetocochliodin B
ChEBI ID CHEBI:224102
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-IRXDYDNUSA-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 B (CHEBI:224102) has functional parent α-amino acid (CHEBI:33704)
Chetocochliodin B (CHEBI:224102) is a organonitrogen compound (CHEBI:35352)
Chetocochliodin B (CHEBI:224102) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,6S)-6-(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-3-methoxy-1-methyl-6-methylsulanylpiperazine-2,5-dione