EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:230132 - Cyclosquamosin F

ChEBI IDCHEBI:230132
ChEBI NameCyclosquamosin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54N8O11
Net Charge0
Average Mass774.873
Monoisotopic Mass774.39120
SMILESCC(C)CC1NC(=O)C(C)NC(=O)C2CCCN2C(=O)C(C)NC(=O)CNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC1=O
InChIInChI=1S/C36H54N8O11/c1-17(2)14-24-32(51)42-29(21(6)46)35(54)43-28(20(5)45)34(53)41-25(15-22-9-11-23(47)12-10-22)31(50)37-16-27(48)38-19(4)36(55)44-13-7-8-26(44)33(52)39-18(3)30(49)40-24/h9-12,17-21,24-26,28-29,45-47H,7-8,13-16H2,1-6H3,(H,37,50)(H,38,48)(H,39,52)(H,40,49)(H,41,53)(H,42,51)(H,43,54)
InChIKeyXLTMDOFLUKZVOQ-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 F (CHEBI:230132) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
12,15-bis(1-hydroxyethyl)-9-[(4-hydroxyphenyl)methyl]-3,21-dimethyl-18-(2-methylpropyl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone
Manual XrefsDatabases
HMDB0303371HMDB