Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 19:36:21 UTC
Update Date2022-08-12 20:09:06 UTC
Metabolite IDMMDBc0054851
Metabolite Identification
Common Name(2S)-2-amino-4-{[(1R)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]amino}butanoic acid
Description(2S)-2-amino-4-{[(1R)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]amino}butanoate belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on (2S)-2-amino-4-{[(1R)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]amino}butanoate.
Structure
Synonyms
ValueSource
(2S)-2-Amino-4-{[(1R)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]amino}butanoic acidGenerator
Molecular FormulaC10H16N4O4
Average Mass256.262
Monoisotopic Mass256.117155011
IUPAC Name(2S)-2-amino-4-{[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}butanoic acid
Traditional Name(2S)-2-amino-4-{[(1R)-1-carboxy-2-(3H-imidazol-4-yl)ethyl]amino}butanoic acid
CAS Registry NumberNot Available
SMILES
[H][C@](N)(CCN[C@]([H])(CC1=CN=CN1)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C10H16N4O4/c11-7(9(15)16)1-2-13-8(10(17)18)3-6-4-12-5-14-6/h4-5,7-8,13H,1-3,11H2,(H,12,14)(H,15,16)(H,17,18)/t7-,8+/m0/s1
InChI KeyPQUPEWJRDBYFHU-JGVFFNPUSA-N