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CHEBI:198765 - Sclerotiotide C

ChEBI IDCHEBI:198765
ChEBI NameSclerotiotide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38N4O4
Net Charge0
Average Mass446.592
Monoisotopic Mass446.28931
SMILESC/C=C/C=C/C=C/C(=O)N[C@H]1CCCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O
InChIInChI=1S/C24H38N4O4/c1-7-8-9-10-11-15-20(29)26-19-14-12-13-16-25-22(30)18(4)27(5)24(32)21(17(2)3)28(6)23(19)31/h7-11,15,17-19,21H,12-14,16H2,1-6H3,(H,25,30)(H,26,29)/b8-7+,10-9+,15-11+/t18-,19-,21-/m0/s1
InChIKeyWTFVTPDZPCKVCO-FPSIIMKOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (20503985)
ChEBI Ontology
Outgoing Relation(s)
Sclerotiotide C (CHEBI:198765) is a azamacrocycle (CHEBI:52898)
Sclerotiotide C (CHEBI:198765) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(2E,4E,6E)-N-[(3S,6S,9S)-3,4,7-trimethyl-2,5,8-trioxo-6-propan-2-yl-1,4,7-triazacyclotridec-9-yl]octa-2,4,6-trienamide
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29214760ChemSpider