CHEBI:209409 - A26771C

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 A26771C
ChEBI ID CHEBI:209409
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H16N2O3S4
Net Charge 0
Average Mass 388.530
Monoisotopic Mass 388.00438
InChI InChI=1S/C14H16N2O3S4/c1-15-12(19)14(9-17)16(2)11(18)13(15,20-22-23-21-14)8-10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3
InChIKey ZYCWSJZSSQRRKF-UHFFFAOYSA-N
SMILES S1SSC2(N(C)C(C(S1)(N(C)C2=O)CO)=O)CC3=CC=CC=C3
Metabolite of Species Details
Penicillium turbatum (NCBI:txid70105) See: PubMed
ChEBI Ontology
Outgoing A26771C (CHEBI:209409) has functional parent α-amino acid (CHEBI:33704)
A26771C (CHEBI:209409) is a organonitrogen compound (CHEBI:35352)
A26771C (CHEBI:209409) is a organooxygen compound (CHEBI:36963)
IUPAC Name
1-benzyl-6-(hydroxymethyl)-7,9-dimethyl-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]decane-8,10-dione
Manual Xref Database
78434968 ChemSpider
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