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CHEBI:208660 - Sclerotiotide D

ChEBI IDCHEBI:208660
ChEBI NameSclerotiotide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34N4O4
Net Charge0
Average Mass418.538
Monoisotopic Mass418.25801
SMILESC/C=C\C=C\C=C\C(=O)N[C@H]1CCCNC(=O)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C1=O
InChIInChI=1S/C22H34N4O4/c1-6-7-8-9-10-13-18(27)25-17-12-11-14-23-20(28)16(4)24-21(29)19(15(2)3)26(5)22(17)30/h6-10,13,15-17,19H,11-12,14H2,1-5H3,(H,23,28)(H,24,29)(H,25,27)/b7-6-,9-8+,13-10+/t16-,17-,19-/m0/s1
InChIKeyIBQPLRWXHSRNAW-HKOHPQHRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (20503985)
ChEBI Ontology
Outgoing Relation(s)
Sclerotiotide D (CHEBI:208660) is a azamacrocycle (CHEBI:52898)
Sclerotiotide D (CHEBI:208660) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(2E,4E,6Z)-N-[(3S,6S,9S)-3,7-dimethyl-2,5,8-trioxo-6-propan-2-yl-1,4,7-triazacyclododec-9-yl]octa-2,4,6-trienamide
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29214761ChemSpider