Asparagine
PubChem CID: 6267
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| Compound Synonyms | L-asparagine, asparagine, 70-47-3, (S)-asparagine, Aspartamic acid, H-Asn-OH, agedoite, altheine, Asparamide, Crystal VI, asparagine acid, (S)-2,4-diamino-4-oxobutanoic acid, Asparagine, L-, (-)-asparagine, L-Asparagine anhydrous, L-Aspartamine, alpha-aminosuccinamic acid, 2-Aminosuccinamic acid, L-2,4-diamino-4-oxobutanoic acid, aspartic acid beta-amide, Asparagine anhydrous, L-asparatamine, (2S)-2-amino-3-carbamoylpropanoic acid, ASN, L-b-Asparagine, (2S)-2,4-diamino-4-oxobutanoic acid, Asparagine (VAN), Aspartic acid amide, 2-aminosuccinamic acid, L-, butanoic acid, 2,4-diamino-4-oxo-, (S)-, L-2-aminosuccinamic acid, L-Asparagin, 7NG0A2TUHQ, L-beta-Asparagine (VAN), L-aspartic acid beta-amide, L-beta-asparagine, MFCD00064401, NSC 82391, L-Asn, 5Z33R5TKO7, 2,4-diamino-4-oxobutanoic acid, (S)-, CHEBI:17196, HSDB 7425, EINECS 200-735-9, NSC-82391, (S)-2-amino-3-carbamoylpropanoic acid, UNII-5Z33R5TKO7, Nor Benzphetamine Hydrochloride, L-?Asparagine, DTXSID10883220, Aminoplasmal, Normofundin, Nutrifundin, Thomaeamin, (S)-2-Aminosuccinic acid 4-amide, asparagina, L-Asparagin-1-wasser, Hasp, UNII-2PD79VF521, ASPARAGINE ANHYDROUS (USP-RS), ASPARAGINE ANHYDROUS [USP-RS], L-(+)-Asparagine, L-.beta.-Asparagine, Aspartic acid b-amide, a-Aminosuccinamic acid, NSC 760099, Nor Benzphetamine Hydrochloride (1.0mg/ml in Methanol), CHEBI:22653, aspargine, Aspartamate, (-)-Asparagine, Asn, Asparamide, a-Aminosuccinamate, 2-Aminosuccinamate, a-?ethyl-N-(phenylmethyl)benzeneethanamine Hydrochloride, N-?enzyl-a-methylphenethylamine ?ydrochloride, , Asn-OH, alpha-Aminosuccinamate, 4-imino-L-homoserine, alpha Amminosuccinamate, L-Asparagine (9CI), H-Asn-OH H, ASPARAGINE [MI], Aspartic acid beta amide, L-Asparagine (Standard), N-Lauryl-N-methyltaurine, ASPARAGINE [HSDB], alpha Amminosuccinamic acid, Asparagine, L- (8CI), bmse000030, bmse000912, Aspartic acid .beta. amide, L-ASPARAGINE [FCC], L-Asparagine (H-Asn-OH), ASPARAGINE [WHO-DD], .alpha.-Aminosuccinamic acid, L-(+)-Asparagine anhydrous, CHEMBL58832, ASPARAGINE (L) HYDRATE, (-)-Asparagine, Asn, Asparamide, GTPL4533, SCHEMBL3126352, L-2,4-Diamino-4-oxobutanoate, US9138393, L-Asparigine, US9144538, L-Asparigine, HY-N0667R, BDBM181137, DTXCID901022769, Pharmakon1600-01301002, (S)-2,4-Diamino-4-oxobutanoate, L-Asparagine, >=98% (HPLC), HY-N0667, STR07164, B2,4-(S)-diamino-4-oxo-utanoate, NSC760099, s5571, AKOS006239067, AC-4657, CCG-266117, DB00174, FA16019, NSC-760099, B2,4-(S)-diamino-4-oxo-utanoic acid, NCGC00344576-01, BP-23453, A0542, A3353, CS-0009702, NS00002372, EN300-67209, L-Asparagine, Vetec(TM) reagent grade, 98%, C00152, M02998, BRD-K06665116-001-02-6, Q29519883, F1905-7151, Z1066276474, 3C28F6A9-E581-4255-ACCF-F75597AB288F, L-Asparagine, certified reference material, TraceCERT(R), L-Asn-OH, L-Aspartic acid 4-amide, (S)-2-Aminosuccinic acid 4-amide, Asparagine anhydrous, United States Pharmacopeia (USP) Reference Standard, L-Asparagine, BioReagent, suitable for cell culture, suitable for insect cell culture, 200-735-9 |
|---|---|
| Topological Polar Surface Area | 106.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 9.0 |
| Pathway Kegg Map Id | map00910, map00250 |
| Description | One of the nonessential amino acids. Dietary supplement, nutrient. Widely distributed in the plant kingdom. Isolated from asparagus, beetroot, peas, beans, etc. Asparagine (abbreviated as Asn or N, Asx or B represent either asparagine or aspartic acid) is one of the 20 most common natural amino acids on Earth. It has carboxamide as the side-chain's functional group. It is not an essential amino acid. Its codons are AAU and AAC. L-Asparagine is found in many foods, some of which are arrowhead, black huckleberry, sourdough, and beech nut. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Enzyme Uniprot Id | P08243, O43776, P04843, P39656, P04844, P46977, P61803, Q7L266, Q8TCJ2, Q86U10, Q96I59 |
| Uniprot Id | P08243, O43776, P04843, P39656, P04844, Q15758, P46977, Q99624, P61803, Q7L266, Q8TCJ2, Q86U10, Q96I59 |
| Iupac Name | (2S)-2,4-diamino-4-oxobutanoic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | -3.4 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C4H8N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DCXYFEDJOCDNAF-REOHCLBHSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | (-)-Asparagine, (2S)-2-amino-3-Carbamoylpropanoate, (2S)-2-Amino-3-carbamoylpropanoic acid, (2S)-2,4-Diamino-4-oxobutanoate, (2S)-2,4-Diamino-4-oxobutanoic acid, (S)-2-amino-3-Carbamoylpropanoate, (S)-2-Amino-3-carbamoylpropanoic acid, (S)-2-Aminosuccinic acid 4-amide, (S)-2,4-Diamino-4-oxobutanoate, (S)-2,4-Diamino-4-oxobutanoic acid, (S)-Asparagine, 2-Aminosuccinamate, 2-Aminosuccinamic acid, 2-Aminosuccinamic acid, L-, a-Aminosuccinamate, a-Aminosuccinamic acid, Agedoite, alpha Amminosuccinamate, alpha Amminosuccinamic acid, alpha-Aminosuccinamate, alpha-Aminosuccinamic acid, Altheine, Asn, ASPARAGINE, Asparagine acid, Asparagine, 9CI, L-form, Asparagine, L- (8CI), Asparamide, Aspartamate, Aspartamic acid, Aspartic acid amide, Aspartic acid b-amide, Aspartic acid beta amide, b2,4-(S)-Diamino-4-oxo-utanoate, b2,4-(S)-Diamino-4-oxo-utanoic acid, Crystal VI, L-2-Aminosuccinamate, L-2-Aminosuccinamic acid, L-2,4-Diamino-4-oxobutanoate, L-2,4-Diamino-4-oxobutanoic acid, L-Asparagin, L-Asparagine (9CI), L-Asparatamine, L-Aspartamine, L-Aspartate b-amide, L-Aspartate beta-amide, L-Aspartate β-amide, L-Aspartic acid 4-amide, L-Aspartic acid b-amide, L-Aspartic acid beta-amide, L-Aspartic acid β-amide, L-b-Asparagine, L-beta-Asparagine, N, α-aminosuccinamate, α-aminosuccinamic acid, (2S)-2-Amino-3-carbamoylpropanoate, (S)-2-Amino-3-carbamoylpropanoate, Α-aminosuccinamate, Α-aminosuccinamic acid |
| Substituent Name | L-alpha-amino acid, Amino fatty acid, Fatty acyl, Fatty acid, Fatty amide, Primary carboxylic acid amide, Carboxamide group, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid amide, Hydrocarbon derivative, Primary amine, Organooxygen compound, Organonitrogen compound, Primary aliphatic amine, Carbonyl group, Amine, Aliphatic acyclic compound |
| Compound Name | Asparagine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.053 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 132.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 1.9328621999999998 |
| Inchi | InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1 |
| Smiles | C([C@@H](C(=O)O)N)C(=O)N |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Asparagine and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Allium Ampeloprasum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Ananas Comosus (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Armoracia Rusticana (Plant) Rel Props:Source_db:fooddb_chem_all - 12. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Source_db:fooddb_chem_all - 13. Outgoing r'ship
FOUND_INto/from Asparagus Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Asparagus Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 15. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Brassica Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 21. Outgoing r'ship
FOUND_INto/from Caesalpinia Crista (Plant) Rel Props:Source_db:cmaup_ingredients - 22. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 23. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 24. Outgoing r'ship
FOUND_INto/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all - 25. Outgoing r'ship
FOUND_INto/from Castanospermum Australe (Plant) Rel Props:Source_db:cmaup_ingredients - 26. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 27. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 28. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 29. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:cmaup_ingredients - 30. Outgoing r'ship
FOUND_INto/from Cucurbita Pepo (Plant) Rel Props:Source_db:cmaup_ingredients - 31. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 32. Outgoing r'ship
FOUND_INto/from Gossypium Hirsutum (Plant) Rel Props:Source_db:cmaup_ingredients - 33. Outgoing r'ship
FOUND_INto/from Hemerocallis Longituba (Plant) Rel Props:Source_db:cmaup_ingredients - 34. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients - 35. Outgoing r'ship
FOUND_INto/from Lactuca Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 36. Outgoing r'ship
FOUND_INto/from Lappula Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients - 37. Outgoing r'ship
FOUND_INto/from Lens Culinaris (Plant) Rel Props:Source_db:fooddb_chem_all - 38. Outgoing r'ship
FOUND_INto/from Lupinus Albus (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 39. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 40. Outgoing r'ship
FOUND_INto/from Malus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all - 41. Outgoing r'ship
FOUND_INto/from Malus Pumila (Plant) Rel Props:Source_db:cmaup_ingredients - 42. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:fooddb_chem_all - 43. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 44. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 45. Outgoing r'ship
FOUND_INto/from Pastinaca Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 46. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 47. Outgoing r'ship
FOUND_INto/from Phoenix Dactylifera (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 48. Outgoing r'ship
FOUND_INto/from Phytolacca Dodecandra (Plant) Rel Props:Source_db:cmaup_ingredients - 49. Outgoing r'ship
FOUND_INto/from Platymiscium Floribundum (Plant) Rel Props:Source_db:cmaup_ingredients - 50. Outgoing r'ship
FOUND_INto/from Prunus Cerasus (Plant) Rel Props:Source_db:fooddb_chem_all - 51. Outgoing r'ship
FOUND_INto/from Ribes Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 52. Outgoing r'ship
FOUND_INto/from Rubus Idaeus (Plant) Rel Props:Source_db:cmaup_ingredients - 53. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all - 54. Outgoing r'ship
FOUND_INto/from Scrophularia Ningpoensis (Plant) Rel Props:Source_db:cmaup_ingredients - 55. Outgoing r'ship
FOUND_INto/from Sinapis Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 56. Outgoing r'ship
FOUND_INto/from Solanum Lycopersicum (Plant) Rel Props:Source_db:cmaup_ingredients - 57. Outgoing r'ship
FOUND_INto/from Solanum Melongena (Plant) Rel Props:Source_db:cmaup_ingredients - 58. Outgoing r'ship
FOUND_INto/from Tripterospermum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 59. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:fooddb_chem_all - 60. Outgoing r'ship
FOUND_INto/from Vigna Mungo (Plant) Rel Props:Source_db:fooddb_chem_all - 61. Outgoing r'ship
FOUND_INto/from Vigna Radiata (Plant) Rel Props:Source_db:fooddb_chem_all - 62. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all