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CHEBI:211383 - Sclerotiotide E

ChEBI IDCHEBI:211383
ChEBI NameSclerotiotide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36N4O4
Net Charge0
Average Mass432.565
Monoisotopic Mass432.27366
SMILESC/C=C\C=C\C=C\C(=O)N[C@H]1CCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O
InChIInChI=1S/C23H36N4O4/c1-7-8-9-10-11-14-19(28)25-18-13-12-15-24-21(29)17(4)26(5)23(31)20(16(2)3)27(6)22(18)30/h7-11,14,16-18,20H,12-13,15H2,1-6H3,(H,24,29)(H,25,28)/b8-7-,10-9+,14-11+/t17-,18-,20-/m0/s1
InChIKeyJBIZFCHJQXSVKL-SOCMEVESSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (20503985)
ChEBI Ontology
Outgoing Relation(s)
Sclerotiotide E (CHEBI:211383) is a azamacrocycle (CHEBI:52898)
Sclerotiotide E (CHEBI:211383) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(2E,4E,6Z)-N-[(3S,6S,9S)-3,4,7-trimethyl-2,5,8-trioxo-6-propan-2-yl-1,4,7-triazacyclododec-9-yl]octa-2,4,6-trienamide
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29214762ChemSpider