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CHEBI:209963 - Sclerotiotide F

ChEBI IDCHEBI:209963
ChEBI NameSclerotiotide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32N4O5
Net Charge0
Average Mass420.510
Monoisotopic Mass420.23727
SMILESCC(C)[C@H]1C(=O)N(C)[C@@H](C)C(=O)NCCC[C@H](NC(=O)/C=C/C=C/C=O)C(=O)N1C
InChIInChI=1S/C21H32N4O5/c1-14(2)18-21(30)24(4)15(3)19(28)22-12-9-10-16(20(29)25(18)5)23-17(27)11-7-6-8-13-26/h6-8,11,13-16,18H,9-10,12H2,1-5H3,(H,22,28)(H,23,27)/b8-6+,11-7+/t15-,16-,18-/m0/s1
InChIKeyKPPYRCDQUDIYQD-CAYKZORVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (20503985)
ChEBI Ontology
Outgoing Relation(s)
Sclerotiotide F (CHEBI:209963) is a azamacrocycle (CHEBI:52898)
Sclerotiotide F (CHEBI:209963) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(2E,4E)-6-oxo-N-[(3S,6S,9S)-3,4,7-trimethyl-2,5,8-trioxo-6-propan-2-yl-1,4,7-triazacyclododec-9-yl]hexa-2,4-dienamide
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