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CHEBI:191645 - Gliadorphin

ChEBI IDCHEBI:191645
ChEBI NameGliadorphin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H57N9O11
Net Charge0
Average Mass875.981
Monoisotopic Mass875.41775
SMILESNC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C43H57N9O11/c44-28(23-26-12-14-27(53)15-13-26)40(59)50-20-4-9-32(50)37(56)47-29(16-18-35(45)54)41(60)51-21-5-10-33(51)38(57)48-30(17-19-36(46)55)42(61)52-22-6-11-34(52)39(58)49-31(43(62)63)24-25-7-2-1-3-8-25/h1-3,7-8,12-15,28-34,53H,4-6,9-11,16-24,44H2,(H2,45,54)(H2,46,55)(H,47,56)(H,48,57)(H,49,58)(H,62,63)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
InChIKeyQGFISQMZJLWFEE-NXBWRCJVSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Gliadorphin (CHEBI:191645) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Manual XrefsDatabases
115783ChemSpider
Registry NumbersSources
CAS:107936-65-2ChemIDplus