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CHEBI:209969 - Cladosporin A

ChEBI IDCHEBI:209969
ChEBI NameCladosporin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24N2O5S2
Net Charge0
Average Mass460.577
Monoisotopic Mass460.11266
SMILESCS[C@@]12CC3=CC=C[C@H](OC(C)=O)[C@H]3N1C(=O)[C@]1(SC)CC3=CC=C[C@H](O)[C@H]3N1C2=O
InChIInChI=1S/C22H24N2O5S2/c1-12(25)29-16-9-5-7-14-11-22(31-3)19(27)23-17-13(6-4-8-15(17)26)10-21(23,30-2)20(28)24(22)18(14)16/h4-9,15-18,26H,10-11H2,1-3H3/t15-,16-,17-,18-,21+,22+/m0/s1
InChIKeyFPGPKYXTPXMJHN-NEEVBFIGSA-N
Species of MetaboliteComponentSourceComments
Cladosporiumspecies (ncbitaxon:1707700) - PubMed (25584683)
ChEBI Ontology
Outgoing Relation(s)
Cladosporin A (CHEBI:209969) has functional parent α-amino acid (CHEBI:33704)
Cladosporin A (CHEBI:209969) is a organonitrogen compound (CHEBI:35352)
Cladosporin A (CHEBI:209969) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,4S,5S,11R,14S,15S)-15-hydroxy-1,11-bis(methylsulanyl)-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-6,8,16,18-tetraen-5-yl] acetate
Manual XrefsDatabases
35516719ChemSpider