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CHEBI:227759 - PM181110

ChEBI IDCHEBI:227759
ChEBI NamePM181110
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30N2O5S2
Net Charge0
Average Mass418.581
Monoisotopic Mass418.15961
SMILESCCCC1CCCCCC(O)CC(=O)NC2CSSCC(NC2=O)C(=O)O1
InChIInChI=1S/C18H30N2O5S2/c1-2-6-13-8-5-3-4-7-12(21)9-16(22)19-14-10-26-27-11-15(18(24)25-13)20-17(14)23/h12-15,21H,2-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyMVEXFNFRQDFJIE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phomopsis glabrae (ncbitaxon:278967) - PubMed (24824817)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
PM181110 (CHEBI:227759) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
5-hydroxy-11-propyl-12-oxa-16,17-dithia-2,20-diazabicyclo[12.4.2]icosane-3,13,19-trione
Manual XrefsDatabases
78444362ChemSpider