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CHEBI:66478 - Sg17-1-4

ChEBI IDCHEBI:66478
ChEBI NameSg17-1-4
Stars
DefinitionA member of the class of isocoumarins isolated from the marine fungus Alternaria tenuis and has been shown to exhibit cytotoxic activities.
Last Modified6 March 2014
DownloadsMolfile
FormulaC24H34N2O9
Net Charge0
Average Mass494.541
Monoisotopic Mass494.22643
SMILES[H][C@@]1([C@H](O)[C@H](O)C(=O)N[C@@H](CC(C)C)[C@]2([H])Cc3cccc(O)c3C(=O)O2)CC(=O)OC(C)(O)[C@H](C)N1
InChIInChI=1S/C24H34N2O9/c1-11(2)8-14(17-9-13-6-5-7-16(27)19(13)23(32)34-17)26-22(31)21(30)20(29)15-10-18(28)35-24(4,33)12(3)25-15/h5-7,11-12,14-15,17,20-21,25,27,29-30,33H,8-10H2,1-4H3,(H,26,31)/t12-,14-,15-,17-,20-,21-,24?/m0/s1
InChIKeyVWEGLEKHUIRPCH-BGAXJHJKSA-N
Species of MetaboliteComponentSourceComments
Alternaria tenuis (ncbitaxon:509205) - PubMed (16915820) Strain: SG 17-1
Roles Classification
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
Sg17-1-4 (CHEBI:66478) has role antineoplastic agent (CHEBI:35610)
Sg17-1-4 (CHEBI:66478) has role fungal metabolite (CHEBI:76946)
Sg17-1-4 (CHEBI:66478) has role marine metabolite (CHEBI:76507)
Sg17-1-4 (CHEBI:66478) is a isocoumarins (CHEBI:38758)
Sg17-1-4 (CHEBI:66478) is a monocarboxylic acid amide (CHEBI:29347)
Sg17-1-4 (CHEBI:66478) is a secondary alcohol (CHEBI:35681)
Sg17-1-4 (CHEBI:66478) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2S,3S)-2,3-dihydroxy-3-[(3S,5S)-2-hydroxy-2,3-dimethyl-7-oxo-1,4-oxazepan-5-yl]-N-{(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]-3-methylbutyl}propanamide
Manual XrefsDatabases
CN101029047Patent
Registry NumbersSources
Reaxys:10741764Reaxys
Citations