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CHEBI:202455 - Gliotide

ChEBI IDCHEBI:202455
ChEBI NameGliotide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H47N5O9
Net Charge0
Average Mass741.842
Monoisotopic Mass741.33738
SMILESCC(C)=CCOc1ccc(C[C@H]2NC(=O)C(C)NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)C(C)NC(=O)[C@H](Cc3ccccc3)OC2=O)cc1
InChIInChI=1S/C40H47N5O9/c1-24(2)18-19-53-31-16-12-29(13-17-31)21-33-40(52)54-34(22-27-8-6-5-7-9-27)39(51)43-25(3)36(48)41-23-35(47)44-32(20-28-10-14-30(46)15-11-28)38(50)42-26(4)37(49)45-33/h5-18,25-26,32-34,46H,19-23H2,1-4H3,(H,41,48)(H,42,50)(H,43,51)(H,44,47)(H,45,49)/t25?,26?,32-,33-,34+/m1/s1
InChIKeyJNXJCUUDHZAFNN-FNIIPNAYSA-N
Species of MetaboliteComponentSourceComments
Gliocladiumspecies (ncbitaxon:1955101) - PubMed (16643039)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Gliotide (CHEBI:202455) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,9R,18S)-18-benzyl-9-[(4-hydroxyphenyl)methyl]-6,15-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-1-oxa-4,7,10,13,16-pentazacyclooctadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
9839633ChemSpider