RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0128618
RefMet name	trans-4-Hydroxyproline
Systematic name	Trans-4-hydroxy-L-proline
Synonyms	PubChem Synonyms
Exact mass	131.058244 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C5H9NO3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	73611 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
InChIKey	PMMYEEVYMWASQN-DMTCNVIQSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1[C@H](CN[C@@H]1C(=O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Distribution of trans-4-Hydroxyproline in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting trans-4-Hydroxyproline
External Links
Pubchem CID	5810
ChEBI ID	18095
KEGG ID	C01157
HMDB ID	HMDB0000725
Spectral data for trans-4-Hydroxyproline standards
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving trans-4-Hydroxyproline

Rxn ID	KEGG Reaction	Enzyme
R01252	L-Proline + 2-Oxoglutarate + Oxygen <=> Hydroxyproline + Succinate + CO2	L-Proline,2-oxoglutarate:oxygen oxidoreductase (4-hydroxylating)
R03291	Hydroxyproline + NAD+ <=> L-1-Pyrroline-3-hydroxy-5-carboxylate + NADH + H+	trans-4-Hydroxy-L-proline:NAD+ 5-oxidoreductase
R03293	Hydroxyproline + NADP+ <=> L-1-Pyrroline-3-hydroxy-5-carboxylate + NADPH + H+	trans-4-Hydroxy-L-proline:NADP+ 5-oxidoreductase
R03295	Hydroxyproline + Quinone <=> L-1-Pyrroline-3-hydroxy-5-carboxylate + Hydroquinone	trans-4-hydroxy-L-proline:quinone oxidoreductase

Table of KEGG human pathways containing trans-4-Hydroxyproline

Pathway ID	Human Pathway	# of reactions
hsa00330	Arginine and proline metabolism	4
hsa01100	Metabolic pathways	2