RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0041892
RefMet name	Pyrroline hydroxycarboxylic acid
Systematic name	4-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid
Synonyms	PubChem Synonyms
Exact mass	129.042594 (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	C5H7NO3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	55521 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h2-4,7H,1H2,(H,8,9)/t3-,4+/m0/s1
InChIKey	WFOFKRKDDKGRIK-IUYQGCFVSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1[C@@H](C=N[C@H]1C(=O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Pyrrolines
Sub Class	Pyrroline carboxylic acids
Distribution of Pyrroline hydroxycarboxylic acid 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 Pyrroline hydroxycarboxylic acid
External Links
Pubchem CID	11966268
ChEBI ID	37005
HMDB ID	HMDB0001369
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)