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CHEBI:181399 - (2S)-2-Amino-5-[[(1S,2R)-1-carboxy-2-hydroxybut-3-ynyl]amino]-5-oxopentanoic acid

ChEBI IDCHEBI:181399
ChEBI Name(2S)-2-Amino-5-[[(1S,2R)-1-carboxy-2-hydroxybut-3-ynyl]amino]-5-oxopentanoic acid
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SubmitterMetaboLights
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FormulaC10H14N2O6
Net Charge0
Average Mass258.230
Monoisotopic Mass258.08519
SMILESC#C[C@@H](O)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C10H14N2O6/c1-2-6(13)8(10(17)18)12-7(14)4-3-5(11)9(15)16/h1,5-6,8,13H,3-4,11H2,(H,12,14)(H,15,16)(H,17,18)/t5-,6+,8-/m0/s1
InChIKeyKTLVUFLBLWWBNE-BBVRLYRLSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-Amino-5-[[(1S,2R)-1-carboxy-2-hydroxybut-3-ynyl]amino]-5-oxopentanoic acid (CHEBI:181399) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2S)-2-amino-5-[[(1S,2R)-1-carboxy-2-hydroxybut-3-ynyl]amino]-5-oxopentanoic acid
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C22140KEGG COMPOUND