Metabolomics Structure Database

MW REGNO: 51705
Common Name:cis-4-hydroxy-L-proline
Systematic Name:(4S)-4-hydroxy-L-proline
RefMet Name:cis-4-Hydroxyproline
Synonyms:(2S,4S)-4-hydroxy-2-pyrrolidinecarboxylic acid; 4-cis-L-hydroxyproline; L-allo-hydroxyproline; L-cis-4-hydroxyproline; allo-4-hydroxy-L-proline [PubChem Synonyms]
Exact Mass:
131.0582 (neutral)    Calculate m/z:
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:Proline and derivatives [C0004322]
MoNA MS spectra:View MS spectra
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:440015
CHEBI ID:28397
KEGG ID:C01015

Calculated physicochemical properties (?):

Heavy Atoms: 9  
Rings: 1  
Aromatic Rings: 0  
Rotatable Bonds: 1  
van der Waals Molecular volume: 117.43 Å3 molecule-1  
Toplogical Polar Sufrace Area: 69.56 Å2 molecule-1  
Hydrogen Bond Donors: 3  
Hydrogen Bond Acceptors: 3  
logP: -0.35  
Molar Refractivity: 31.56  
Fraction sp3 Carbons: 0.80  
sp3 Carbons: 4  


LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y