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CHEBI:180731 - 2-amino-4-({2-[(1-carboxy-1-hydroxy-2-methylpropan-2-yl)sulfanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

ChEBI IDCHEBI:180731
ChEBI Name2-amino-4-({2-[(1-carboxy-1-hydroxy-2-methylpropan-2-yl)sulfanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H25N3O9S
Net Charge0
Average Mass423.444
Monoisotopic Mass423.13115
SMILESCC(C)(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(O)C(=O)O
InChIInChI=1S/C15H25N3O9S/c1-15(2,11(22)14(26)27)28-6-8(12(23)17-5-10(20)21)18-9(19)4-3-7(16)13(24)25/h7-8,11,22H,3-6,16H2,1-2H3,(H,17,23)(H,18,19)(H,20,21)(H,24,25)(H,26,27)
InChIKeyNOXJCKDHKUDSOP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
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-({2-[(1-carboxy-1-hydroxy-2-methylpropan-2-yl)sulfanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:180731) is a peptide (CHEBI:16670)
IUPAC Name 
2-amino-5-[[3-(1-carboxy-1-hydroxy-2-methylpropan-2-yl)sulanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
HMDB0128932HMDB