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CHEBI:230861 - Cyclosquamosin D

ChEBI IDCHEBI:230861
ChEBI NameCyclosquamosin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H56N8O11
Net Charge0
Average Mass836.944
Monoisotopic Mass836.40685
SMILESCC(C)CC1NC(=O)C(C(C)C)NC(=O)CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccc(O)cc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC1=O
InChIInChI=1S/C41H56N8O11/c1-22(2)16-28-36(55)47-31(21-50)38(57)44-29(17-24-7-11-26(51)12-8-24)37(56)46-30(18-25-9-13-27(52)14-10-25)41(60)49-15-5-6-32(49)39(58)43-19-33(53)42-20-34(54)48-35(23(3)4)40(59)45-28/h7-14,22-23,28-32,35,50-52H,5-6,15-21H2,1-4H3,(H,42,53)(H,43,58)(H,44,57)(H,45,59)(H,46,56)(H,47,55)(H,48,54)
InChIKeyZHNAXZUOHRJIJT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cyclosquamosin D (CHEBI:230861) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
9-(hydroxymethyl)-3,6-bis[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone
Manual XrefsDatabases
HMDB0303369HMDB