Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:21:36 UTC
Update Date2022-08-12 20:09:39 UTC
Metabolite IDMMDBc0056278
Metabolite Identification
Common Namepseudopaline
Descriptionpseudopaline 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 a significant number of articles have been published on pseudopaline.
Structure
SynonymsNot Available
Molecular FormulaC15H20N4O8
Average Mass384.346
Monoisotopic Mass384.12921078
IUPAC Name2-{[(1S)-1-carboxy-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}propyl]amino}pentanedioate
Traditional Name2-{[(1S)-1-carboxy-3-{[(1S)-1-carboxy-2-(3H-imidazol-4-yl)ethyl]amino}propyl]amino}pentanedioate
CAS Registry NumberNot Available
SMILES
[H][C@@](CC1=CN=CN1)(NCC[C@]([H])(NC([H])(CCC([O-])=O)C([O-])=O)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C15H22N4O8/c20-12(21)2-1-9(13(22)23)19-10(14(24)25)3-4-17-11(15(26)27)5-8-6-16-7-18-8/h6-7,9-11,17,19H,1-5H2,(H,16,18)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/p-2/t9?,10-,11-/m0/s1
InChI KeyRLSXUJSGKUUKFH-DVRYWGNFSA-L