CHEBI:210597 - (-)-acrozine A

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 (-)-acrozine A
ChEBI ID CHEBI:210597
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H19N3O4S
Net Charge 0
Average Mass 349.410
Monoisotopic Mass 349.10963
InChI InChI=1S/C16H19N3O4S/c1-23-19-13(9-20)14(21)18-16(24-2,15(19)22)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8,13,17,20H,7,9H2,1-2H3,(H,18,21)/t13-,16+/m0/s1
InChIKey URSNEXGMZBGKLE-XJKSGUPXSA-N
SMILES S([C@]1(NC(=O)[C@H](CO)N(C1=O)OC)CC=2C3=C(C=CC=C3)NC2)C
Metabolite of Species Details
Acrostalagmus (NCBI:txid461148) See: PubMed
ChEBI Ontology
Outgoing (-)-acrozine A (CHEBI:210597) has functional parent α-amino acid (CHEBI:33704)
(-)-acrozine A (CHEBI:210597) is a organonitrogen compound (CHEBI:35352)
(-)-acrozine A (CHEBI:210597) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,6S)-6-(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-1-methoxy-3-methylsulanylpiperazine-2,5-dione
Manual Xref Database
78315808 ChemSpider
View more database links