EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188533 - maremycin A

ChEBI IDCHEBI:188533
ChEBI Namemaremycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21N3O4S
Net Charge0
Average Mass363.439
Monoisotopic Mass363.12528
SMILES[H][C@@]1([C@@H](C)[C@@]2(O)C(=O)N(C)c3ccccc32)NC(=O)[C@H](CSC)NC1=O
InChIInChI=1S/C17H21N3O4S/c1-9(13-15(22)18-11(8-25-3)14(21)19-13)17(24)10-6-4-5-7-12(10)20(2)16(17)23/h4-7,9,11,13,24H,8H2,1-3H3,(H,18,22)(H,19,21)/t9-,11+,13+,17+/m1/s1
InChIKeyAQJPUORWMCOONW-RDFWBEMPSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
maremycin A (CHEBI:188533) has functional parent α-amino acid (CHEBI:33704)
maremycin A (CHEBI:188533) is a organonitrogen compound (CHEBI:35352)
maremycin A (CHEBI:188533) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6R)-3-[(1R)-1-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]ethyl]-6-(methylsulanylmethyl)piperazine-2,5-dione
Manual XrefsDatabases
8649311ChemSpider