Pyroglutamic Acid
PubChem CID: 7405
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| Compound Synonyms | L-Pyroglutamic acid, 98-79-3, Pyroglutamic acid, Pidolic acid, 5-oxo-L-proline, (2S)-5-oxopyrrolidine-2-carboxylic acid, (S)-5-Oxopyrrolidine-2-carboxylic Acid, H-Pyr-OH, Pyroglutamate, pyroglu, GLUTIMIC ACID, L-Proline, 5-oxo-, 5-OXOPROLINE, (S)-(-)-2-Pyrrolidone-5-carboxylic acid, 5-L-Oxoproline, L-5-Oxoproline, Proline, 5-oxo-, Pidolidone, Pidolate, Pyrrolidonecarboxylic acid, AJIDEW A-100, (-)-2-Pyrrolidone-5-carboxylic acid, (S)-PYROGLUTAMIC ACID, Acide pidolique, Acido pidolico, 5-Carboxy-2-pyrrolidinone, L-5-Carboxy-2-pyrrolidinone, L-GLUTIMINIC ACID, L-5-Oxo-2-pyrrolidinecarboxylic acid, oxo-proline, GLUTIMINIC ACID, Pidolic acid [INN], L-Pyroglutamate, 2-Pyrrolidinone-5-carboxylic acid, 5-Pyrrolidinone-2-carboxylic acid, (S)-5-Oxo-2-pyrrolidinecarboxylic acid, Acidum pidolicum, Pyroglutamic acid, l-, 2-L-Pyrrolidone-5-carboxylic acid, L-GLUTIMIC ACID, L-pca, 5-Pyrrolidone-2-carboxylic acid, Pyr-OH, 2-Pyrrolidone-5-carboxylate, L-5-Pyrrolidone-2-carboxylic acid, L-2-PYRROLIDONE-5-CARBOXYLIC ACID, l-pyrrolidone carboxylic acid, L-Glutamic acid gamma-lactam, Acide pidolique [INN-French], Acido pidolico [INN-Spanish], Acidum pidolicum [INN-Latin], Glutiminate, Glutimate, NSC 143034, L-Glutiminate, L-Glutimate, (5S)-2-Oxopyrrolidine-5-carboxylic acid, PYRROLIDINONECARBOXYLIC ACID, 5-OXO-2-PYRROLIDINECARBOXYLIC ACID, L-PYRROLIDONECARBOXYLIC ACID, Proline, 5-oxo-, L-, 2-Oxopyrrolidine-5-carboxylic acid, Pidolic acid [INN:BAN], NSC 9966, EINECS 202-700-3, L-PYRROLIDINONECARBOXYLIC ACID, PYRROLIDONE-5-CARBOXYLIC ACID, (S)-Pyroglutamate, OXOPROLINE, (-)-Pyroglutamate, 2-Benzothiazolesulfenic acid morpholide, NSC-760414, SZB83O1W42, DTXSID6046260, CHEBI:18183, Pyrrolidinonecarboxylate, Ajidew A 100, NSC9966, L-Pyrrolidonecarboxylate, Oxopyrrolidinecarboxylate, (-)-Pyroglutamic acid, L-Pyrrolidinonecarboxylate, Pyrrolidone-5-carboxylate, L-Glutamic acid g-lactam, MFCD00005272, (S)-2-Pyrrolidone-5-carboxylic acid, NSC-143034, Oxopyrrolidinecarboxylic acid, 2-Pyrrolidinone-5-carboxylate, 5-Pyrrolidinone-2-carboxylate, PIDOLIC ACID [WHO-DD], 2-L-Pyrrolidone-5-carboxylate, L-2-Pyrrolidone-5-carboxylate, DTXCID4026260, L-PYROGLUTAMIC ACID [MI], L-5-Oxo-2-pyrrolidinecarboxylate, (S)-2-Pyrrolidone-5-carboxylate, (-)-2-Pyrrolidone-5-carboxylate, 2-Oxopyrrolidine-5(S)-carboxylate, PYROGLUTAMIC ACID [USP-RS], (S)-5-Oxo-2-pyrrolidinecarboxylate, (5S)-2-Oxopyrrolidine-5-carboxylate, pyrrolidone-COO, (S)-(-)-g-Butyrolactam-g-carboxylate, 2-Oxopyrrolidine-5(S)-carboxylic acid, (S)-(-)-2-Pyrrolidone-5-carboxylate, NCGC00160613-01, (S)-(-)-g-Butyrolactam-g-carboxylic acid, (S)-(-)-gamma-Butyrolactam-gamma-carboxylate, (S)-(-)-gamma-Butyrolactam-gamma-carboxylic acid, Acide pidolique (INN-French), Acido pidolico (INN-Spanish), Acidum pidolicum (INN-Latin), PYROGLUTAMIC ACID (USP-RS), PYRROLIDONE-CARBOXYLATE, CAS-98-79-3, pGlu-OH, SMR000857158, glutamic acid lactam, 16891-48-8, UNII-SZB83O1W42, 5oxoproline, pidolic-acid, pGlu, 5LOxoproline, 5OxoLproline, L5Oxoproline, NSC143034, LProline, 5oxo, Proline, 5oxo, L-pyro-glutamic acid, Proline, 5oxo, L, 5Carboxy2pyrrolidinone, (L)-pyroglutamic acid, L5Carboxy2pyrrolidinone, L-Glutamic Acid Lactam, 2Pyrrolidone5carboxylate, L-Pyroglutamic Acid, PCA, LGlutamic acid gammalactam, Rec-PGA 273K, AJIDEW A100, pyrrolidone car-boxylic acid, L-Pyroglutamic acid, 97%, SCHEMBL15790, (S)-(-)-pyroglutamic acid, 2LPyrrolidone5carboxylic acid, alphaAminoglutaric acid lactam, L-Pyroglutamic acid, BioXtra, MLS001332421, MLS001332422, 2Pyrrolidinone5carboxylic acid, 5Pyrrolidinone2carboxylic acid, ()2Pyrrolidone5carboxylic acid, 2Oxopyrrolidine5carboxylic acid, 5Oxo2pyrrolidinecarboxylic acid, CHEMBL397976, L-Pyroglutamic acid (Standard), L-Glutamic acid .gamma.-lactam, L5Oxo2pyrrolidinecarboxylic acid, PYROGLUTAMIC ACID, (L), HMS2231L11, HMS3264E20, Pharmakon1600-01506185, (S)()2Pyrrolidone5carboxylic acid, (S)5Oxo2pyrrolidinecarboxylic acid, CS-M0659, GLP, NSC-9966, NSC11742, STR02331, (5S)2Oxopyrrolidine5carboxylic acid, Tox21_111936, CCG-36432, GEO-04256, HY-76082R, NSC-11742, NSC760414, s5823, AKOS015855330, Tox21_111936_1, (2S)-5-pyrrolidone-2-carboxylic acid, (S)-5-oxopyrolidine-2-carboxylic acid, DB03088, FP31392, L-Pyroglutamic acid, >=99.0% (T), (5S)-2-xopyrrolidine-5-carboxylic acid, NCGC00160613-02, (S)-5-oxo-pyrrolidine-2-carboxylic acid, AC-15173, BP-12844, HY-76082, DB-002779, (s)-(-)-2-pyrrolidinone-5-carboxylic acid, NS00006581, P0573, EN300-72896, C01879, M03204, P17107, SBI-0633635.0002, SBI-0633635.0003, AB00514366_07, BRD-K57313110-001-06-8, Q60998677, F8889-8712, Z1154378309, Pidolic acid, European Pharmacopoeia (EP) Reference Standard, E478F48D-E369-43AE-8132-08D819242518, Pyroglutamic Acid, United States Pharmacopeia (USP) Reference Standard, 202-700-3 |
|---|---|
| Topological Polar Surface Area | 66.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Pathway Kegg Map Id | map00480 |
| Description | Found in vegetables, fruits and molasses. A cyclized derivative of L-glutamic acid. It is an uncommon amino acid derivative in which the free amino group of glutamic acid cyclizes to form a lactam. Pyroglutamate in the urine is a biomarker for the consumption of cheese |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Enzyme Uniprot Id | O14841, P03950, P15692, O43612, O75223, P0CG04 |
| Uniprot Id | Q16769, O14841, P03950, P01709, P04745, P04746, P15692, P19961, O43612, O75223, P0CG04, Q9BVM4, P02545, P84022, P25094, Q9NUW8, n.a., P0DTD1 |
| Iupac Name | (2S)-5-oxopyrrolidine-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Target Id | NPT483 |
| Xlogp | -0.8 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C5H7NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ODHCTXKNWHHXJC-VKHMYHEASA-N |
| Fcsp3 | 0.6 |
| Logs | -0.802 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | -0.137 |
| Synonyms | (-)-2-Pyrrolidone-5-carboxylate, (-)-2-Pyrrolidone-5-carboxylic acid, (-)-Pyroglutamate, (-)-Pyroglutamic acid, (2S)-5-oxopyrrolidine-2-carboxylic acid, (5S)-2-Oxopyrrolidine-5-carboxylate, (5S)-2-Oxopyrrolidine-5-carboxylic acid, (S)-(-)-2-Pyrrolidone-5-carboxylate, (S)-(-)-2-Pyrrolidone-5-carboxylic acid, (s)-(-)-g-butyrolactam-g-carboxylate, (s)-(-)-g-butyrolactam-g-carboxylic acid, (s)-(-)-gamma-butyrolactam-gamma-carboxylate, (s)-(-)-gamma-butyrolactam-gamma-carboxylic acid, (S)-2-Pyrrolidone-5-carboxylate, (S)-2-Pyrrolidone-5-carboxylic acid, (S)-5-Oxo-2-pyrrolidinecarboxylate, (S)-5-Oxo-2-pyrrolidinecarboxylic acid, (s)-pyroglutamate, (s)-pyroglutamic acid, 2-L-Pyrrolidone-5-carboxylate, 2-L-Pyrrolidone-5-carboxylic acid, 2-Oxopyrrolidine-5(S)-carboxylate, 2-Oxopyrrolidine-5(S)-carboxylic acid, 2-Pyrrolidinone-5-carboxylate, 2-Pyrrolidinone-5-carboxylic acid, 5-Carboxy-2-pyrrolidinone, 5-L-oxoproline, 5-Oxo-2-pyrrolidinecarboxylic acid, L-form, 5-Oxo-L-proline, 5-Oxoproline, 5-Pyrrolidinone-2-carboxylate, 5-Pyrrolidinone-2-carboxylic acid, 5-Pyrrolidone-2-carboxylate, 5-Pyrrolidone-2-carboxylic acid, Ajidew a 100, Glutimate, Glutimic acid, Glutiminate, Glutiminic acid, L-2-Pyrrolidone-5-carboxylate, L-2-Pyrrolidone-5-carboxylic acid, L-5-Carboxy-2-pyrrolidinone, L-5-Oxo-2-pyrrolidinecarboxylate, L-5-Oxo-2-pyrrolidinecarboxylic acid, L-5-Oxoproline, L-5-Pyrrolidone-2-carboxylate, l-5-Pyrrolidone-2-carboxylic acid, L-glutamic acid g-lactam, L-glutamic acid gamma-lactam, L-glutimate, L-glutimic acid, L-glutiminate, L-glutiminic acid, L-pyroglutamate, L-pyroglutamic acid, L-pyrrolidinonecarboxylate, L-pyrrolidinonecarboxylic acid, L-pyrrolidonecarboxylate, L-pyrrolidonecarboxylic acid, Oxoproline, Oxopyrrolidinecarboxylate, Oxopyrrolidinecarboxylic acid, Pidolate, Pidolic acid, Pidolidone, Pyroglutamate, Pyroglutamic acid, Pyrrolidinonecarboxylate, Pyrrolidinonecarboxylic acid, Pyrrolidone-5-carboxylate, Pyrrolidone-5-carboxylic acid, Pyrrolidonecarboxylic acid, (S)-Pyroglutamic acid, L-5-Pyrrolidone-2-carboxylic acid, L-Pyroglutamic acid, 5-oxo-L-Proline, (S)-Pyroglutamate, L-Pyroglutamate, (S)-(-)-g-Butyrolactam-g-carboxylate, (S)-(-)-g-Butyrolactam-g-carboxylic acid, (S)-(-)-gamma-Butyrolactam-gamma-carboxylate, (S)-(-)-gamma-Butyrolactam-gamma-carboxylic acid, (S)-5-oxo-2-Pyrrolidinecarboxylate, (S)-5-oxo-2-Pyrrolidinecarboxylic acid, 5-L-Oxoproline, L-5-oxo-2-Pyrrolidinecarboxylate, L-5-oxo-2-Pyrrolidinecarboxylic acid, L-Glutamic acid g-lactam, L-Glutimate, L-Glutimic acid, L-Glutiminate, L-Glutiminic acid, L-Pyrrolidinonecarboxylate, L-Pyrrolidinonecarboxylic acid, L-Pyrrolidonecarboxylate, L-Pyrrolidonecarboxylic acid, 5-Ketoproline, Pidolate, magnesium, 5-Oxopyrrolidine-2-carboxylic acid, Magnesium pidolate, 2-Pyrrolidone-5-carboxylic acid, 5-Oxoprolinate, PCA |
| Compound Name | Pyroglutamic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 129.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 129.043 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 129.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | -0.2973130000000002 |
| Inchi | InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 |
| Smiles | C1CC(=O)N[C@@H]1C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alpha amino acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Chlamydomonas Reinhardtii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Cremastra Appendiculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Persicaria Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Pleione Bulbocodioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Pleione Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Source_db:fooddb_chem_all