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CHEBI:190908 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2-methyl-3-oxo-1-phenylpropan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

ChEBI IDCHEBI:190908
ChEBI Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2-methyl-3-oxo-1-phenylpropan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N3O8S
Net Charge0
Average Mass469.516
Monoisotopic Mass469.15189
SMILESCC(C=O)(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(O)c1ccccc1
InChIInChI=1S/C20H27N3O8S/c1-20(11-24,17(28)12-5-3-2-4-6-12)32-10-14(18(29)22-9-16(26)27)23-15(25)8-7-13(21)19(30)31/h2-6,11,13-14,17,28H,7-10,21H2,1H3,(H,22,29)(H,23,25)(H,26,27)(H,30,31)
InChIKeyANKRFOYLRUGMKS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2-methyl-3-oxo-1-phenylpropan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:190908) is a peptide (CHEBI:16670)
IUPAC Name 
2-amino-5-[[1-(carboxymethylamino)-3-(1-hydroxy-2-methyl-3-oxo-1-phenylpropan-2-yl)sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
HMDB0133632HMDB