CHEBI:224119 - Chetocochliodin E

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ChEBI Name Chetocochliodin E
ChEBI ID CHEBI:224119
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H19N3O4S
Net Charge 0
Average Mass 349.410
Monoisotopic Mass 349.10963
InChI InChI=1S/C16H19N3O4S/c1-23-15(9-20)13(21)19-16(24-2,14(22)18-15)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8,17,20H,7,9H2,1-2H3,(H,18,22)(H,19,21)/t15-,16+/m1/s1
InChIKey BXKVFFZQQTUGJE-CVEARBPZSA-N
SMILES S([C@@]1(NC(=O)[C@](OC)(CO)NC1=O)CC=2C3=C(C=CC=C3)NC2)C
Metabolite of Species Details
Chaetomium cochliodes (NCBI:txid904709) See: PubMed
ChEBI Ontology
Outgoing Chetocochliodin E (CHEBI:224119) has functional parent α-amino acid (CHEBI:33704)
Chetocochliodin E (CHEBI:224119) is a organonitrogen compound (CHEBI:35352)
Chetocochliodin E (CHEBI:224119) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,6S)-3-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-3-methoxy-6-methylsulanylpiperazine-2,5-dione