IAS

BETA-L-ASPARTIC ACID

Created:	1999-07-08
Last modified:	2024-09-27

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4 entries where IAS is found as a standalone ligand2 entries where IAS is covalently linked to polymer or other heterogen groups 130 entries where IAS is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	1
Bond Count	15
Aromatic Bond Count	0

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Chemical Component Summary
Name	BETA-L-ASPARTIC ACID
Synonyms	L-aspartic acid
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanylbutanedioic acid
Formula	C₄ H₇ N O₄
Molecular Weight	133.103
Type	L-BETA-PEPTIDE, C-GAMMA LINKING

Chemical Descriptors
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	1.7.2	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	1.7.2	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
Name	Aspartic acid
Groups	approved nutraceutical
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	ácido aspártico Acidum asparticum L-Aspartate L-Aspartic acid Aspartic acid L-Asp (S)-2-aminosuccinic acid (S)-2-aminobutanedioic acid L-Asparaginsäure 2-Aminosuccinic acid D Asp
Brand Names	Olimel 4.4% ProSol Aminosyn II 8.5% With 50% Dextrose Olimel 7.6% E Aminosyn II 7% With 10% Dextrose Liquid Perikabiven Vamin 18 Electrolyte-free Vamin N Aminosyn-PF Clinisol Aminosyn II with Electrolytes Olimel 4.4% E Olimel 5.7% E Primene Olimel 3.3% E Aminosyn II 7% M In 10% Dextrose(dual Chamber) TrophAmine Aminosyn II 10% With Electrolytes Aminosyn II 8.5% M In 20% Dextrose (dual Chamber) Aminosyn II in Dextrose Aminosyn II with Electrolytes in Dextrose with Calcium Aminosyn-PF 10% Olimel 7.6% Premasol - sulfite-free (Amino Acid) Aminosyn II 8.5% Injection Aminosyn II 7% With 50% Dextrose Periolimel 2.5% E Olimel 5.7% Aminosyn-PF 7% Kabiven Ultra Eye Therapy Drops Aminosyn II 7% Injection Aminosyn II In Dextrose Injection Plenamine 20% Prosol Aminosyn II and Dextrose Novamine Primene 10%-liq IV Primene 10% Aminosyn II Drop Aminosyn II 5% Inj
Indication	There is no support for the claim that aspartates are exercise performance enhancers, i.e. ergogenic aids.
Categories	Amino Acids Amino Acids, Acidic Amino Acids, Dicarboxylic Amino Acids, Peptides, and Proteins Dietary Supplements Excitatory Amino Acids Proteinogenic Amino Acids Supplements
CAS number	56-84-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glutamate receptor ionotropic, NMDA 2A	MGRVGYWTLLVLPALLVWRGPAPSAAAEKGPPALNIAVMLGHSHDVTERE...	unknown	agonist
Glutamate receptor ionotropic, NMDA 2B	MKPRAECCSPKFWLVLAVLAVSGSRARSQKSPPSIGIAVILVGTSDEVAI...	unknown	agonist
Glutamate receptor ionotropic, NMDA 1	MSTMRLLTLALLFSCSVARAACDPKIVNIGAVLSTRKHEQMFREAVNQAN...	unknown	agonist
Adenylosuccinate Synthetases	MSGTRASNDRPPGAGGVKRGRLQQEAAATGSRVTVVLGAQWGDEGKGKVV...	unknown	substrate
Electrogenic aspartate/glutamate antiporter SLC25A13, mitochondrial	MAAAKVALTKRADPAELRTIFLKYASIEKNGEFFMSPNDFVTRYLNIFGE...	unknown
Aspartate aminotransferase, cytoplasmic	MAPPSVFAEVPQAQPVLVFKLTADFREDPDPRKVNLGVGAYRTDDCHPWV...	unknown
Aspartoacylase	MTSCHIAEEHIQKVAIFGGTHGNELTGVFLVKHWLENGAEIQRTGLEVKP...	unknown
Asparagine synthetase [glutamine-hydrolyzing]	MCGIWALFGSDDCLSVQCLSAMKIAHRGPDAFRFENVNGYTNCCFGFHRL...	unknown	substrate
Argininosuccinate synthase	MSSKGSVVLAYSGGLDTSCILVWLKEQGYDVIAYLANIGQKEDFEEARKK...	unknown
Aminoacylase-1	MTSKGPEEEHPSVTLFRQYLRIRTVQPKPDYGAAVAFFEETARQLGLGCQ...	unknown
Aspartate aminotransferase, mitochondrial	MALLHSGRVLPGIAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEA...	unknown
Aspartate--tRNA ligase, cytoplasmic	MPSASASRKSQEKPREIMDAAEDYAKERYGISSMIQSQEKPDRVLVRVRD...	unknown
Electrogenic aspartate/glutamate antiporter SLC25A12, mitochondrial	MAVKVQTTKRGDPHELRNIFLQYASTEVDGERYMTPEDFVQRYLGLYNDP...	unknown
Aspartyl/asparaginyl beta-hydroxylase	MAQRKNAKSSGNSSSSGSGSGSTSAGSSSPGARRETKHGGHKNGRKGGLS...	unknown
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase	MATAEVLNIGKKLYEGKTKEVYELLDSPGKVLLQSKDQITAGNAARKNHL...	unknown	substrate
Adenylosuccinate synthetase isozyme 2	MAFAETYPAASSLPNGDCGRPRARPGGNRVTVVLGAQWGDEGKGKVVDLL...	unknown
Excitatory amino acid transporter 3	MGKPARKGCEWKRFLKNNWVLLSTVAAVVLGITTGVLVREHSNLSTLEKF...	unknown
Aspartate--tRNA ligase, mitochondrial	MYFPSWLSQLYRGLSRPIRRTTQPIWGSLYRSLLQSSQRRIPEFSSFVVR...	unknown
Isoaspartyl peptidase/L-asparaginase	MNPIVVVHGGGAGPISKDRKERVHQGMVRAATVGYGILREGGSAVDAVEG...	unknown
Ribonuclease pancreatic	MALEKSLVRLLLLVLILLVLGWVQPSLGKESRAKKFQRQHMDSDSSPSSS...	unknown
Lysozyme C	MKALIVLGLVLLSVTVQGKVFERCELARTLKRLGMDGYRGISLANWMCLA...	unknown
Multifunctional protein CAD	MAALVLEDGSVLRGQPFGAAVSTAGEVVFQTGMVGYPEALTDPSYKAQIL...	unknown	substrate
Monocarboxylate transporter 10	MVLSQEEPDSARGTSEAQPLGPAPTGAAPPPGPGPSDSPEAAVEKVEVEL...	unknown	inhibitor
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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
PubChem	5960, 139060126, 44367445
ChEMBL	CHEMBL274323
ChEBI	CHEBI:17053
CCDC/CSD	MUCKUR01, MUCKUR, NELQUQ, MUCKUR02, YUFKUF, HUMLIK, DUSLUY, YIGNEJ, MUVXAC, VUYHII