CHEBI:224107 - Chetocochliodin C

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 C
ChEBI ID CHEBI:224107
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C16H19N3O4S
Net Charge 0
Average Mass 349.410
Monoisotopic Mass 349.10963
InChI InChI=1S/C16H19N3O4S/c1-23-15(7-10-8-17-12-6-4-3-5-11(10)12)13(21)19-16(9-20,24-2)14(22)18-15/h3-6,8,17,20H,7,9H2,1-2H3,(H,18,22)(H,19,21)/t15-,16+/m0/s1
InChIKey YGHYUNOVXLIFHZ-JKSUJKDBSA-N
SMILES S([C@]1(NC(=O)[C@@](OC)(CC=2C3=C(C=CC=C3)NC2)NC1=O)CO)C
Metabolite of Species Details
Chaetomium cochliodes (NCBI:txid904709) See: PubMed
ChEBI Ontology
Outgoing Chetocochliodin C (CHEBI:224107) has functional parent α-amino acid (CHEBI:33704)
Chetocochliodin C (CHEBI:224107) is a organonitrogen compound (CHEBI:35352)
Chetocochliodin C (CHEBI:224107) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,6S)-3-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-6-methoxy-3-methylsulanylpiperazine-2,5-dione