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CHEBI:211364 - Sclerotiotide A

ChEBI IDCHEBI:211364
ChEBI NameSclerotiotide A
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)N(C)C(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C22H34N4O4/c1-6-7-8-9-10-13-18(27)24-17-12-11-14-23-20(28)16(4)26(5)22(30)19(15(2)3)25-21(17)29/h6-10,13,15-17,19H,11-12,14H2,1-5H3,(H,23,28)(H,24,27)(H,25,29)/b7-6+,9-8+,13-10+/t16-,17-,19-/m0/s1
InChIKeyZRECDKRYGORPRG-VUOPYGPLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (20503985)
ChEBI Ontology
Outgoing Relation(s)
Sclerotiotide A (CHEBI:211364) is a azamacrocycle (CHEBI:52898)
Sclerotiotide A (CHEBI:211364) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(2E,4E,6E)-N-[(3S,6S,9S)-3,4-dimethyl-2,5,8-trioxo-6-propan-2-yl-1,4,7-triazacyclododec-9-yl]octa-2,4,6-trienamide
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25056368ChemSpider