CHEBI:222529 - Bionectin D

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 Bionectin D
ChEBI ID CHEBI:222529
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H19N3O3S
Net Charge 0
Average Mass 333.410
Monoisotopic Mass 333.11471
InChI InChI=1S/C16H19N3O3S/c1-9(20)13-14(21)19-16(23-2,15(22)18-13)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8-9,13,17,20H,7H2,1-2H3,(H,18,22)(H,19,21)/t9?,13-,16-/m0/s1
InChIKey JHVDPKPGLJIADF-LCQZPTMYSA-N
SMILES S([C@@]1(NC(=O)[C@H](C(O)C)NC1=O)CC=2C3=C(C=CC=C3)NC2)C
Metabolite of Species Details
Clonostachysspecies Y1085 (NCBI:txid2213019) See: PubMed
ChEBI Ontology
Outgoing Bionectin D (CHEBI:222529) is a indoles (CHEBI:24828)
IUPAC Name
(3S,6S)-6-(1-hydroxyethyl)-3-(1H-indol-3-ylmethyl)-3-methylsulanylpiperazine-2,5-dione