ASP
ASPARTIC ACID
Created: | 1999-07-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 16 |
Chiral Atom Count | 1 |
Bond Count | 15 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | ASPARTIC ACID |
Systematic Name (OpenEye OEToolkits) | (2S)-2-azanylbutanedioic acid |
Formula | C4 H7 N O4 |
Molecular Weight | 133.103 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CC(N)C(=O)O |
SMILES | CACTVS | 3.370 | N[CH](CC(O)=O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.0 | C(C(C(=O)O)N)C(=O)O |
Canonical SMILES | CACTVS | 3.370 | N[C@@H](CC(O)=O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | C([C@@H](C(=O)O)N)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 |
InChIKey | InChI | 1.03 | CKLJMWTZIZZHCS-REOHCLBHSA-N |
Drug Info: DrugBank
DrugBank ID | DB00128 |
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Name | Aspartic acid |
Groups |
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Description | One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter. |
Synonyms |
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Brand Names |
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Indication | There is no support for the claim that aspartates are exercise performance enhancers, i.e. ergogenic aids. |
Categories |
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CAS number | 56-84-8 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
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Adenylosuccinate Synthetases | MSGTRASNDRPPGAGGVKRGRLQQEAAATGSRVTVVLGAQWGDEGKGKVV... | unknown | substrate |
Calcium-binding mitochondrial carrier protein Aralar2 | MAAAKVALTKRADPAELRTIFLKYASIEKNGEFFMSPNDFVTRYLNIFGE... | unknown | |
Aspartate aminotransferase, cytoplasmic | MAPPSVFAEVPQAQPVLVFKLTADFREDPDPRKVNLGVGAYRTDDCHPWV... | unknown | |
Aspartoacylase | MTSCHIAEEHIQKVAIFGGTHGNELTGVFLVKHWLENGAEIQRTGLEVKP... | unknown | |
Asparagine synthetase [glutamine-hydrolyzing] | MCGIWALFGSDDCLSVQCLSAMKIAHRGPDAFRFENVNGYTNCCFGFHRL... | unknown | substrate |
View More |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
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PubChem | 5960, 44367445, 139060126 |
ChEMBL | CHEMBL274323 |
ChEBI | CHEBI:17053 |
CCDC/CSD | MUCKUR01, MUCKUR, NELQUQ, MUCKUR02, YUFKUF, HUMLIK, DUSLUY, YIGNEJ, MUVXAC, VUYHII |