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CHEBI:193430 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(3-hydroxy-2-methyl-4-oxobutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

ChEBI IDCHEBI:193430
ChEBI Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(3-hydroxy-2-methyl-4-oxobutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H25N3O8S
Net Charge0
Average Mass407.445
Monoisotopic Mass407.13624
SMILESCC(C)(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(O)C=O
InChIInChI=1S/C15H25N3O8S/c1-15(2,10(20)6-19)27-7-9(13(24)17-5-12(22)23)18-11(21)4-3-8(16)14(25)26/h6,8-10,20H,3-5,7,16H2,1-2H3,(H,17,24)(H,18,21)(H,22,23)(H,25,26)
InChIKeyFWZXBYNNGPDEMJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
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-[(3-hydroxy-2-methyl-4-oxobutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:193430) is a peptide (CHEBI:16670)
IUPAC Name 
2-amino-5-[[1-(carboxymethylamino)-3-(3-hydroxy-2-methyl-4-oxobutan-2-yl)sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid