Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	38814
Common Name:	4-Hydroxy-L-proline
Systematic Name:	(2S)-4-hydroxypyrrolidine-2-carboxylic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	131.0582 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C5H9NO3
InChIKey:	PMMYEEVYMWASQN-BKLSDQPFSA-N
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]
Massbank MS spectra:	View MS spectra
SMILES:	C1C(CN[C@@H]1C(=O)O)O
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	69248
CHEBI ID:	18240
HMDB ID:	HMDB0006055
KEGG ID:	C01015
Chemspider ID:	62461
MetaCyc ID:	4-HYDROXY-L-PROLINE
Plant Metabolite Hub(Pmhub):	MS000000303

References

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