EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210603 - (+)-acrozine B

ChEBI IDCHEBI:210603
ChEBI Name(+)-acrozine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19N3O4S
Net Charge0
Average Mass349.412
Monoisotopic Mass349.10963
SMILESCON1C(=O)[C@](Cc2cnc3ccccc23)(SC)NC(=O)[C@@H]1CO
InChIInChI=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
InChIKeyURSNEXGMZBGKLE-BBRMVZONSA-N
Species of MetaboliteComponentSourceComments
Acrostalagmus (ncbitaxon:461148) - PubMed (31226467)
ChEBI Ontology
Outgoing Relation(s)
(+)-acrozine B (CHEBI:210603) has functional parent α-amino acid (CHEBI:33704)
(+)-acrozine B (CHEBI:210603) is a organonitrogen compound (CHEBI:35352)
(+)-acrozine B (CHEBI:210603) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-6-(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-1-methoxy-3-methylsulanylpiperazine-2,5-dione
Manual XrefsDatabases
78315809ChemSpider