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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(2S)-2-Amino-5-[[(1S,2R)-1-carboxy-2-hydroxybut-3-ynyl]amino]-5-oxopentanoic acid

ChEBI ID	CHEBI:181399

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H14N2O6

Net Charge

Average Mass

258.230

Monoisotopic Mass

258.08519

InChI

InChI=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

InChIKey

KTLVUFLBLWWBNE-BBVRLYRLSA-N

SMILES

O[C@@H]([C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)C#C

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	(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