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CHEBI:182406 - 2-[(L-Alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate

ChEBI IDCHEBI:182406
ChEBI Name2-[(L-Alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14N2O8
Net Charge0
Average Mass278.217
Monoisotopic Mass278.07502
SMILESN[C@@H](CNC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C9H14N2O8/c10-4(7(15)16)3-11-5(12)1-9(19,8(17)18)2-6(13)14/h4,19H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t4-,9?/m0/s1
InChIKeyRACKNMPLNJKJHK-HBSVBABPSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[(L-Alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate (CHEBI:182406) is a L-α-amino acid (CHEBI:15705)
IUPAC Name 
2-[2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid
Manual XrefsDatabases
C22072KEGG COMPOUND