CHEBI:66478 - Sg17-1-4

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Sg17-1-4
ChEBI ID CHEBI:66478
Definition A member of the class of isocoumarins isolated from the marine fungus Alternaria tenuis and has been shown to exhibit cytotoxic activities.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H34N2O9
Net Charge 0
Average Mass 494.53480
Monoisotopic Mass 494.22643
InChI InChI=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
InChIKey VWEGLEKHUIRPCH-BGAXJHJKSA-N
SMILES [H][C@]1(CC(=O)OC(C)(O)[C@H](C)N1)[C@H](O)[C@H](O)C(=O)N[C@@H](CC(C)C)[C@]1([H])Cc2cccc(O)c2C(=O)O1
Metabolite of Species Details
Alternaria tenuis (NCBI:txid509205) of strain SG 17-1 See: PubMed
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
CN101029047 Patent
View more database links
Registry Number Type Source
10741764 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16915820 PubMed citation Europe PMC
Last Modified
06 March 2014