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

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ChEBI Name 2-[(L-Alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate
ChEBI ID CHEBI:182406
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H14N2O8
Net Charge 0
Average Mass 278.217
Monoisotopic Mass 278.07502
InChI InChI=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
InChIKey RACKNMPLNJKJHK-HBSVBABPSA-N
SMILES OC(CC(=O)NC[C@H](N)C(O)=O)(CC(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
C22072 KEGG COMPOUND
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