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CHEBI:230860 - Cyclo(Arg-Gly-Asp-D-Phe-Val)

ChEBI IDCHEBI:230860
ChEBI NameCyclo(Arg-Gly-Asp-D-Phe-Val)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38N8O7
Net Charge0
Average Mass574.639
Monoisotopic Mass574.28635
SMILESCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O
InChIInChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21-/m0/s1
InChIKeyYYQUWEHEBOMRPH-NYUBLWNDSA-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(Arg-Gly-Asp-D-Phe-Val) (CHEBI:230860) is a peptide (CHEBI:16670)
IUPAC Name 
2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
Manual XrefsDatabases
8026817ChemSpider