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D-aspartate(1-)

AlkaPlorer ID: AK005547

Synonym: '', '1783-96-6', 'D', 'D-aspartate(1-)', '1115-63-5', 'L-Asparaginsaeure', 'DL-Asparagic acid', 'DL-Aminosuccinic acid', '(R)-2-aminobutanedioic acid', 'L-aspartate', '(S)-2-aminobutanedioic acid', '17090-93-6', '(2R)-2-ammoniobutanedioate', 'ASPARTIC ACID', '(2S)-2-ammoniosuccinate', 'L-Asp', 'Aspartic acid', 'aspartic acid D-form', 'aspartic acid', 'D-Aspartic acid', 'D-aspartic acid', '(S)-2-aminosuccinic acid', '2-aminobutanedioic acid', 'Asp', '2-Aminosuccinic acid', 'D-aspartic acid monoanion', '(R)-2-aminosuccinic acid', '52921-08-1', 'L-aspartic acid monoanion', '14007-45-5', '(+-)-Aspartic acid', 'L-Asparaginic acid', '(2S)-2-ammoniobutanedioate', '(R,S)-Aspartic acid', 'L-aspartate(1-)', '56-84-8', 'DAS', '(2R)-2-ammoniosuccinate', '3792-50-5', 'L-aspartic acid', 'L-Aspartic acid', 'L-Asparagic acid', 'D-aspartate', 'D-Asparaginsaeure'

IUPAC Name: (2R)-2-aminobutanedioic acid

Structure

SMILES: N[C@H](CC(=O)O)C(=O)O

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InChI: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1

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InChIKey: CKLJMWTZIZZHCS-UWTATZPHSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Coriolopsis gallica Coriolopsis Polyporaceae Polyporales Agaricomycetes Basidiomycota Fungi Eukaryota
Ginkgo biloba Ginkgo Ginkgoaceae Ginkgoales Ginkgoopsida Streptophyta Viridiplantae Eukaryota
Sinapis alba Sinapis Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Corydalis tashiroi Corydalis Papaveraceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nezara viridula Nezara Pentatomidae Hemiptera Insecta Arthropoda Metazoa Eukaryota
Guizotia scabra Guizotia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bertholletia excelsa Bertholletia Lecythidaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Polysiphonia nigra Polysiphonia Rhodomelaceae Ceramiales Florideophyceae Rhodophyta None Eukaryota
Arum palaestinum Arum Araceae Alismatales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bupleurum falcatum Bupleurum Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Calvatia gigantea Calvatia Lycoperdaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Brassica juncea Brassica Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Zea mays Zea Poaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Raoulia australis Raoulia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota
Sus scrofa Sus Suidae Artiodactyla Mammalia Chordata Metazoa Eukaryota
Tussilago farfara Tussilago Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Arachis hypogaea Arachis Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aloe spicata Aloe Asphodelaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Arabidopsis thaliana Arabidopsis Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Euphorbia cuneata Euphorbia Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Prunus speciosa Prunus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mikania cordifolia Mikania Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Allium sativum Allium Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Glycyrrhiza glabra Glycyrrhiza Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bupleurum chinense Bupleurum Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Terminalia brachystemma Terminalia Combretaceae Myrtales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Calvatia fenzlii Calvatia Lycoperdaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Malus pumila Malus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hakea trifurcata Hakea Proteaceae Proteales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Calvatia lilacina Calvatia Lycoperdaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Bupleurum scorzonerifolium Bupleurum Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Solanum tuberosum Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mus musculus Mus Muridae Rodentia Mammalia Chordata Metazoa Eukaryota
Anacyclus monanthos Anacyclus Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Fagopyrum esculentum Fagopyrum Polygonaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Juglans nigra Juglans Juglandaceae Fagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aloe ferox Aloe Asphodelaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Oryza sativa Oryza Poaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Otholobium glandulosum Otholobium Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pinellia ternata Pinellia Araceae Alismatales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Chondria armata Chondria Rhodomelaceae Ceramiales Florideophyceae Rhodophyta None Eukaryota
Acorus gramineus Acorus Acoraceae Acorales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pogostemon cablin Pogostemon Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aloe africana Aloe Asphodelaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 133.10299999999998

TPSA？: 100.62000000000002

MolLogP？: -1.127

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 14125.4 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 79432.8 nM None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 158.5 nM None
Homo sapiens Excitatory amino acid transporter 1 EC50 398000.0 nM 10.3389/fphar.2022.872335
Homo sapiens Metabotropic glutamate receptor 1 EC50 1000000.0 nM 10.1021/jm9602569
Homo sapiens Metabotropic glutamate receptor 2 EC50 1000000.0 nM 10.1021/jm9602569
Homo sapiens Metabotropic glutamate receptor 6 EC50 1000000.0 nM 10.1021/jm9602569
Homo sapiens Thyroid stimulating hormone receptor Potency 7943.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 33498.3 nM None
Plasmodium falciparum Plasmodium falciparum Potency 3380.8 nM None
Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 /NBRC 100139 / OT-3) Glutamate transporter homolog Kd 10.0 nM 10.1038/nature05455
Rattus norvegicus Glutamate NMDA receptor IC50 10000.0 nM 10.1021/jm00086a004
Rattus norvegicus Rattus norvegicus Control 58.0 % 10.1021/jm00106a037
None Unchecked Kd 9.0 nM 10.1038/nature05455

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000274 *C(=O)N[C@H](CC(=O)O)C(=O)O>>N[C@H](CC(=O)O)C(=O)O MNXR147548
AKRT000861 *OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OC(=O)[C@H](N)CC(=O)O>>N[C@H](CC(=O)O)C(=O)O RXN-19728
AKRT002141 CC(=O)C(=O)O.N[C@H](CC(=O)O)C(=O)O>>C[C@@H](N)C(=O)O.O=C(O)CC(=O)C(=O)O None
AKRT002142 CC(=O)C(=O)O.N[C@H](CC(=O)O)C(=O)O>>O=C(O)CC(=O)C(=O)O enzymemap_41817
AKRT003084 CC(=O)N[C@H](CC(=O)O)C(=O)O>>CC(=O)O.N[C@H](CC(=O)O)C(=O)O None
AKRT003085 CC(=O)N[C@H](CC(=O)O)C(=O)O>>N[C@H](CC(=O)O)C(=O)O enzymemap_77922
AKRT003236 CC(=O)N[C@H]1C(O[C@@H]2[C@@H](CO)OC(O)[C@H](NC(C)=O)[C@H]2OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O.N[C@H](CC(=O)O)C(=O)O>>CC(=O)N[C@H]1C(O[C@@H]2[C@@H](CO)OC(O)[C@H](NC(C)=O)[C@H]2OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O enzymemap_90159
AKRT007133 CCC(=O)N[C@H](CC(=O)O)C(=O)O>>N[C@H](CC(=O)O)C(=O)O enzymemap_76447
AKRT007384 CCCC(=O)N[C@H](CC(=O)O)C(=O)O>>N[C@H](CC(=O)O)C(=O)O enzymemap_76448
AKRT010973 CO.N[C@H](CC(=O)O)C(=O)O>>COC(=O)C[C@@H](N)C(=O)O enzymemap_52993
AKRT010974 CO.N[C@H](CC(=O)O)C(=O)O>>COC(=O)[C@H](N)CC(=O)O enzymemap_52993
AKRT011039 COC(=O)C[C@@H](N)C(=O)O>>N[C@H](CC(=O)O)C(=O)O enzymemap_52993
AKRT011122 COC(=O)[C@H](N)CC(=O)O>>N[C@H](CC(=O)O)C(=O)O enzymemap_52993
AKRT016003 N=C(N)NCCC[C@H](N)C(=O)N[C@H](CC(=O)O)C(=O)O>>N[C@H](CC(=O)O)C(=O)O enzymemap_66408
AKRT016941 NC(=O)C[C@@H](N)C(=O)O>>N[C@H](CC(=O)O)C(=O)O MNXR130698
AKRT017127 NC(=O)N[C@H](CC(=O)O)C(=O)O>>N[C@H](CC(=O)O)C(=O)O enzymemap_77864
AKRT017611 NCC(=O)N[C@H](CC(=O)O)C(=O)O>>N[C@H](CC(=O)O)C(=O)O enzymemap_66298
AKRT018715 N[C@@H](CC(=O)O)C(=O)O>>N[C@H](CC(=O)O)C(=O)O R00491
AKRT019694 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O.O=C(O)CC(=O)C(=O)O>>N[C@H](CC(=O)O)C(=O)O R05053
AKRT020212 N[C@H](CC(=O)NO)C(=O)O>>N[C@H](CC(=O)O)C(=O)O enzymemap_75961
AKRT020213 N[C@H](CC(=O)O)C(=O)O.N[C@H](CC(=O)O)C(=O)O>>N[C@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)O enzymemap_90691
AKRT020214 N[C@H](CC(=O)O)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@H](CCC(=O)O)C(=O)O MNXR194980
AKRT020215 N[C@H](CC(=O)O)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@H](CCC(=O)O)C(=O)O.O=C(O)CC(=O)C(=O)O None
AKRT020216 N[C@H](CC(=O)O)C(=O)O.O=C(O)CCC(=O)C(=O)O>>O=C(O)CC(=O)C(=O)O MNXR194980
AKRT020217 N[C@H](CC(=O)O)C(=O)O>>C[C@@H](N)C(=O)O enzymemap_41817
AKRT020218 N[C@H](CC(=O)O)C(=O)O>>N[C@@H](CC(=O)O)C(=O)O R00491
AKRT020219 N[C@H](CC(=O)O)C(=O)O>>O=C(O)CC(=O)C(=O)O R00359
AKRT022688 O=C(O)CC(=O)C(=O)O>>N[C@H](CC(=O)O)C(=O)O enzymemap_42893
AKRT023723 O=CN[C@H](CC(=O)O)C(=O)O>>N[C@H](CC(=O)O)C(=O)O enzymemap_76446