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CHEBI:217509 - Sclerotiotide G

ChEBI IDCHEBI:217509
ChEBI NameSclerotiotide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36N4O6
Net Charge0
Average Mass464.563
Monoisotopic Mass464.26348
SMILESCC(O)C(=O)/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/C23H36N4O6/c1-14(2)20-23(33)26(5)15(3)21(31)24-13-9-10-17(22(32)27(20)6)25-19(30)12-8-7-11-18(29)16(4)28/h7-8,11-12,14-17,20,28H,9-10,13H2,1-6H3,(H,24,31)(H,25,30)/b11-7+,12-8+/t15-,16?,17-,20-/m0/s1
InChIKeyPECOIDLLRXSGKX-KFVQFUFLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (20503985)
ChEBI Ontology
Outgoing Relation(s)
Sclerotiotide G (CHEBI:217509) is a azamacrocycle (CHEBI:52898)
Sclerotiotide G (CHEBI:217509) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(2E,4E)-7-hydroxy-6-oxo-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-dienamide
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