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CHEBI:230049 - Cyclo(aspartylleucylthreonylvalyltyrosylphenylalanylglycyl)

ChEBI IDCHEBI:230049
ChEBI NameCyclo(aspartylleucylthreonylvalyltyrosylphenylalanylglycyl)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H53N7O11
Net Charge0
Average Mass795.891
Monoisotopic Mass795.38031
SMILESCC(C)CC1NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC1=O
InChIInChI=1S/C39H53N7O11/c1-20(2)15-26-37(55)45-32(21(3)4)38(56)46-33(22(5)47)39(57)44-28(17-24-11-13-25(48)14-12-24)35(53)43-27(16-23-9-7-6-8-10-23)34(52)40-19-30(49)41-29(18-31(50)51)36(54)42-26/h6-14,20-22,26-29,32-33,47-48H,15-19H2,1-5H3,(H,40,52)(H,41,49)(H,42,54)(H,43,53)(H,44,57)(H,45,55)(H,46,56)(H,50,51)
InChIKeyUOANVDYNZBBTBP-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)
Cyclo(aspartylleucylthreonylvalyltyrosylphenylalanylglycyl) (CHEBI:230049) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[17-benzyl-11-(1-hydroxyethyl)-14-[(4-hydroxyphenyl)methyl]-5-(2-methylpropyl)-3,6,9,12,15,18,21-heptaoxo-8-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]acetic acid
Manual XrefsDatabases
HMDB0303713HMDB