Molecule

5-oxoprolinate

AlkaPlorer ID: AK002678

Synonym: '', 'R-(+)-2-Pyrrolidinone-5-carboxylate', '4042-36-8', '5-oxoproline', '(S)-(-)-2-pyrrolidone-5-carboxylic acid', 'Glp', 'MLS001304098', '98-79-3', 'PYROGLUTAMIC ACID', 'Pyroglutamic acid', '28874-51-3', '5-OXOPROLINE', 'MLSMR', '(S)-pyroglutamic acid', '2-pyrrolidone-5-carboxylic acid', 'L-Pyroglutamic acid', '5-Oxoproline', '5-Oxo-L-proline', 'Pyroglutamate', '5-oxo-L-proline', '(-)-2-pyrrolidone-5-carboxylic acid', '5-oxopyrrolidine-2-carboxylate', 'pidolic acid', '5-oxo-DL-proline', 'L-5-Pyrrolidone-2-carboxylic acid', '2-Pyrrolidone-5-carboxylic acid', 'SMR000112493', '5-Pyrrolidone-2-carboxylic acid', '5-oxoprolinate anion'

IUPAC Name: (2R)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate

Structure

SMILES: O=C(O)[C@H]1CCC([O-])=N1

InChI: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1/t3-/m1/s1

InChIKey: ODHCTXKNWHHXJC-GSVOUGTGSA-M

Reference

Five cyclopentanoid monoterpenes from Rehmannia glutinosa

PubChem CID: 7043982

CAS: 4042-36-8

LOTUS: LTS0274323

SuperNatural Ⅲ: SN0262322-01

NPASS: NPC79291

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aloe spicata	Aloe	Asphodelaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ceratonia siliqua	Ceratonia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Geum urbanum	Geum	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aloe ferox	Aloe	Asphodelaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aloe africana	Aloe	Asphodelaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 128.107

TPSA？: 72.72

MolLogP？: -1.0078

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Staphylococcus aureus (strain NCTC 8325)	ATP-dependent Clp protease proteolytic subunit	Inhibition	None	%	10.1021/acs.jmedchem.9b01746

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT009814	CC[C@@H](C)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O>>O=C1CC[C@H](C(=O)O)N1	enzymemap_68205
AKRT020248	N[C@H](CCC(=O)O)C(=O)O>>O=C1CC[C@H](C(=O)O)N1	R01583
AKRT023563	O=C1CC[C@H](C(=O)O)N1>>N[C@H](CCC(=O)O)C(=O)O	enzymemap_84250