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(2R,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate

AlkaPlorer ID: AK319021

Synonym: None

IUPAC Name: (2R,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate

Structure

SMILES: C[N+]1(C)C[C@H](O)C[C@@H]1C(=O)[O-]

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InChI: InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6-/m1/s1

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InChIKey: MUNWAHDYFVYIKH-PHDIDXHHSA-N

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Reference

PubChem CID: 6560290

CAS: 515-24-2

SuperNatural Ⅲ: SN0235728-03

NPASS: NPC200750

Source

Species Genus Family Order Class Phylum Kingdom Domain
Nepeta cataria Nepeta Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Abies veitchii Abies Pinaceae Pinales Pinopsida Streptophyta Viridiplantae Eukaryota
Buxus microphylla Buxus Buxaceae Buxales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Luculia pinceana Luculia Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
enrichment culture None None None None None None None
Aphis sambuci Aphis Aphididae Hemiptera Insecta Arthropoda Metazoa Eukaryota
Ainsliaea macrocephala Ainsliaea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Zanthoxylum ailanthoides Zanthoxylum Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Marrubium vulgare Marrubium Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Epidendrum rigidum Epidendrum Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Vellozia nivea Vellozia Velloziaceae Pandanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Betonica officinalis Betonica Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Boronia ternata Boronia Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dicoma anomala Dicoma Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pityrogramma ebenea Pityrogramma Pteridaceae Polypodiales Polypodiopsida Streptophyta Viridiplantae Eukaryota
Colchicum robustum Colchicum Colchicaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Casearia membranacea Casearia Salicaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cinnamomum kotoense Cinnamomum Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Perknaster fuscus Perknaster Ganeriidae Valvatida Asteroidea Echinodermata Metazoa Eukaryota
Galeopsis tetrahit Galeopsis Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pinus mugo Pinus Pinaceae Pinales Pinopsida Streptophyta Viridiplantae Eukaryota
Cytisus ratisbonensis Cytisus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Strychnos camptoneura Strychnos Loganiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 159.18499999999997

TPSA？: 60.36

MolLogP？: -2.0540999999999983

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT014442 C[N+]1(C)C[C@H](O)C[C@@H]1C(=O)O>>C[N+]1(C)C[C@H](O)C[C@H]1C(=O)O RXN-15948
AKRT014443 C[N+]1(C)C[C@H](O)C[C@H]1C(=O)O>>C[N+]1(C)C[C@H](O)C[C@@H]1C(=O)O RXN-15948