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CHEBI:198733 - Maremycin C2

ChEBI IDCHEBI:198733
ChEBI NameMaremycin C2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21N3O5S
Net Charge0
Average Mass379.438
Monoisotopic Mass379.12019
SMILESC[C@H]([C@@H]1NC(=O)[C@@H](C[S@@](C)=O)NC1=O)[C@@]1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C17H21N3O5S/c1-9(13-15(22)18-11(8-26(3)25)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+,26-/m1/s1
InChIKeySRLGBQOCPROCJP-OBMYQFOGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/1099-0690(200101)2001:2<261::aid-ejoc261>3.0.co;2-6)
ChEBI Ontology
Outgoing Relation(s)
Maremycin C2 (CHEBI:198733) is a indoles (CHEBI:24828)
IUPAC Name 
(3S,6S)-3-[(1R)-1-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]ethyl]-6-[[(S)-methylsulinyl]methyl]piperazine-2,5-dione
Manual XrefsDatabases
78440746ChemSpider