ASN

ASPARAGINE

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

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37 entries where ASN is found as a standalone ligand15 entries where ASN is covalently linked to polymer or other heterogen groups 220,476 entries where ASN is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	1
Bond Count	16
Aromatic Bond Count	0

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Chemical Component Summary
Name	ASPARAGINE
Systematic Name (OpenEye OEToolkits)	(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoic acid
Formula	C₄ H₈ N₂ O₃
Molecular Weight	132.118
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N)CC(N)C(=O)O
SMILES	CACTVS	3.370	N[CH](CC(N)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.2	C(C(C(=O)O)N)C(=O)N
Canonical SMILES	CACTVS	3.370	N[C@@H](CC(N)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	C([C@@H](C(=O)O)N)C(=O)N
InChI	InChI	1.03	InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKey	InChI	1.03	DCXYFEDJOCDNAF-REOHCLBHSA-N

Drug Info: DrugBank

DrugBank ID	DB00174
Name	Asparagine
Groups	approved investigational nutraceutical
Description	A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from aspartic acid and ammonia by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed)
Synonyms	2-Aminosuccinamic acid L-aspartic acid beta-amide Asn L-2-aminosuccinamic acid (2S)-2-amino-3-carbamoylpropanoic acid Asparagine (2S)-2,4-diamino-4-oxobutanoic acid L-aspartic acid β-amide Aspartamic acid alpha-aminosuccinamic acid α-aminosuccinamic acid (S)-2-amino-3-carbamoylpropanoic acid (S)-Asparagine L-Asparagine
Brand Names	EXODERMA Calming Toner Pad The Classeum Co., Ltd. EXODERMA Brightening Mellow Foam EXODERMA Brightening Peeling Gel
Indication	Used for nutritional supplementation, also for treating dietary shortage or imbalance.
Categories	Amino Acids Amino Acids, Basic Amino Acids, Diamino Amino Acids, Neutral Amino Acids, Peptides, and Proteins Dietary Supplements Proteinogenic Amino Acids Supplements
CAS number	70-47-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Sodium-coupled neutral amino acid transporters	MMHFKSGLELTELQNMTVPEDDNISNDSNDFTEVENGQINSKFISDRESR...	unknown	inhibitor
Neutral amino acid transporter B(0)	MVADPPRDSKGLAAAEPTANGGLALASIEDQGAAAGGYCGSRDQVRRCLR...	unknown
Asparagine synthetase [glutamine-hydrolyzing]	MCGIWALFGSDDCLSVQCLSAMKIAHRGPDAFRFENVNGYTNCCFGFHRL...	unknown
Asparagine--tRNA ligase, cytoplasmic	MVLAELYVSDREGSDATGDGTKEKPFKTGLKALMTVGKEPFPTIYVDSQK...	unknown
Isoaspartyl peptidase/L-asparaginase	MNPIVVVHGGGAGPISKDRKERVHQGMVRAATVGYGILREGGSAVDAVEG...	unknown	substrate
Probable asparagine--tRNA ligase, mitochondrial	MLGVRCLLRSVRFCSSAPFPKHKPSAKLSVRDALGAQNASGERIKIQGWI...	unknown
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	6992089, 6267
ChEMBL	CHEMBL58832
ChEBI	CHEBI:58048, CHEBI:17196
CCDC/CSD	LIRLUW, ILUXOC, WAMPOQ, LIRMAD, LIRMEH, HUDJIA, COTZOB, NUYFUI01, NUYFUI, SUYWEP, MAPFIT, AYAQID
COD	2227303