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CHEBI:231137 - Cyclo(-D-Tyr-Arg-Gly-Asp-Cys(carboxymethyl)-OH) sulfoxide

ChEBI IDCHEBI:231137
ChEBI NameCyclo(-D-Tyr-Arg-Gly-Asp-Cys(carboxymethyl)-OH) sulfoxide
Stars
Last Modified29 July 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36N8O11S
Net Charge0
Average Mass668.686
Monoisotopic Mass668.22242
SMILESNC(N)=NCCCC1NC(=O)C(Cc2ccc(O)cc2)NC(=O)CS(=O)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC1=O
InChIInChI=1S/C26H36N8O11S/c27-26(28)29-7-1-2-15-22(40)30-10-19(36)31-17(9-21(38)39)24(42)34-18(25(43)44)11-46(45)12-20(37)32-16(23(41)33-15)8-13-3-5-14(35)6-4-13/h3-6,15-18,35H,1-2,7-12H2,(H,30,40)(H,31,36)(H,32,37)(H,33,41)(H,34,42)(H,38,39)(H,43,44)(H4,27,28,29)
InChIKeyDMXRDQJVBMEHPP-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(-D-Tyr-Arg-Gly-Asp-Cys(carboxymethyl)-OH) sulfoxide (CHEBI:231137) is a peptide (CHEBI:16670)
IUPAC Name 
6-(carboxymethyl)-12-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-1,5,8,11,14,17-hexaoxo-1lambda4-thia-4,7,10,13,16-pentazacyclooctadecane-3-carboxylic acid
Manual XrefsDatabases
28689595ChemSpider
HMDB0244621HMDB