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CHEBI:216704 - Pre-sclerotiotide F

ChEBI IDCHEBI:216704
ChEBI NamePre-sclerotiotide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30N4O5
Net Charge0
Average Mass406.483
Monoisotopic Mass406.22162
SMILESCC(C)[C@H]1C(=O)N[C@@H](C)C(=O)NCCC[C@H](NC(=O)/C=C/C=C/C=O)C(=O)N1C
InChIInChI=1S/C20H30N4O5/c1-13(2)17-19(28)22-14(3)18(27)21-11-8-9-15(20(29)24(17)4)23-16(26)10-6-5-7-12-25/h5-7,10,12-15,17H,8-9,11H2,1-4H3,(H,21,27)(H,22,28)(H,23,26)/b7-5+,10-6+/t14-,15-,17-/m0/s1
InChIKeyUITINDVBHJVYAN-CAYPRPDESA-N
Species of MetaboliteComponentSourceComments
Aspergillus insulicola (ncbitaxon:138276) - PubMed (22368725)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pre-sclerotiotide F (CHEBI:216704) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2E,4E)-N-[(3S,6S,9S)-3,7-dimethyl-2,5,8-trioxo-6-propan-2-yl-1,4,7-triazacyclododec-9-yl]-6-oxohexa-2,4-dienamide
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29214715ChemSpider