ALA

ALANINE

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

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128 entries where ALA is found as a standalone ligand57 entries where ALA is covalently linked to polymer or other heterogen groups 222,221 entries where ALA is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	1
Bond Count	12
Aromatic Bond Count	0

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Chemical Component Summary
Name	ALANINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-aminopropanoic acid
Formula	C₃ H₇ N O₂
Molecular Weight	89.093
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)C
SMILES	CACTVS	3.341	C[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	C[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKey	InChI	1.03	QNAYBMKLOCPYGJ-REOHCLBHSA-N

Drug Info: DrugBank

DrugBank ID	DB00160
Name	Alanine
Groups	nutraceutical
Description	Alanine is a non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases immunity, and provides energy for muscle tissue, brain, and the central nervous system.
Synonyms	Alaninum Alanina Alanine (S)-alanine L-α-alanine L-alpha-Alanine (S)-2-aminopropanoic acid L-alanine (2S)-2-aminopropanoic acid L-2-Aminopropionic acid L-Alanin
Brand Names	Smofkabiven Peripheral 2.75% Travas. Amino Acid InJ.W.elecw.25%dex 8.5% Freamine III 4.25% Travasol Amino Acid Injection Without Electrolytes In 25% Dextrose Aminosyn II Olimel 3.3% E Aminosyn II with Electrolytes in Dextrose with Calcium Vamin N Aminosyn 8.5% Injection With Electrolytes Clinimix Aminosyn Nutrineal Pd4 4.25% Amino Acid Injection Without Electrolytes In 20% Dextrose Quickmix Aminosyn II 7% With 50% Dextrose Primene 10% Quick Mix 2.5% Travasol Aa With Electrolytes With 25% Dextrose Injec Travasol Amino Acid Inj 8.5% Aminosyn II 7% M In 10% Dextrose(dual Chamber) Smofkabiven Electrolyte Free 4.25% Travasol Amino Acid Injection Without Electrlytes In 10% Dextrose 4.25% Travasol Amino Acid Injection With Electrolytes In 20% Dextrose Olimel 7.6% 4.25%trav. Amino Acid InJ.W.O.elect.5%dext. HepatAmine 2.75% Travasol Amino Acid Injection With Electrolytes In 5% Dextrose Quickmix Aminosyn II 8.5% With 50% Dextrose Aminosyn II and Dextrose Plenamine 5% Travasol Amino Acid Injection With Electrolytes In 20% Dextrose Clinimix 2.5% Travasol Aa Without Electrolytes In 10% Dextrose Injec 2.5% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose Perikabiven 4.25% Travasol Amino Acid Injection Without Electrolytes In 20% Dextrose Aminosyn HF Aminosyn II In Dextrose Injection Aminosyn 3.5% M Aminosyn II 8.5% M In 20% Dextrose (dual Chamber) 4.25% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose Aminosyn II 8.5% Injection Primene 10%-liq IV Clinimix E Clinisol 2.75%travasol Amino Acid InJ.W.eleC.W.5%dex. RenAmin 2.5% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose Clinimix Olimel 5.7% 2.5%travasol Amino Acid InJ.W.eleC.W.25%dex Olimel 7.6% E 4.25% Travasol Amino Acid Injection With Electrolytes In 25% Dextrose Travasol E 4.25% Travasol Amino Acid Injection With Electrolytes In 5% Dextrose Quickmix Vamin 18 Electrolyte-free Aminosyn-PF Olimel 5.7% E Premasol - sulfite-free (Amino Acid) 2.75% Travasol Amino Acid Injection With Electrolytes In 25% Dextrose Quickmix Aminosyn 10% W Electrolytes Aminosyn Sulfite Free 4.25% Travasol Amino Acid Injection With Electrolytes In 20% Dextrose Quickmix Aminosyn-PF 10% Aminosyn II in Dextrose Primene Novamine Aminosyn 5% Aminosyn 8.5% Periolimel 2.5% E Travasol Inj Without Electrolytes 8.5% Travasol Inj Without Electrolytes 5.5% Travasol Amino Acid Inj 5.5% 4.25%travasol Amino Acid InJ.W.elecw.5%dex. Travasol Renamin (amino Acids) Injection Smofkabiven Synthamin Olimel 4.4% 5% Travasol Amino Acid Injection Without Electrolytes In 25% Dextrose ProSol 4.25% Travasol Amino Acid Without Electrolytes In 5% Dextrose Quickmix Hepatasol Aminosyn-PF 7% ProcalAmine TrophAmine Aminosyn II 7% With 10% Dextrose Smofkabiven Extra Nitrogen Electrolyte Free FreAmine HBC Aminosyn II 5% Inj FreAmine III Aminosyn II 10% With Electrolytes 2.5% Travasol Amino Acid Injection Without Electrolytes In 10% Dextrose Quickmix Smofkabiven Extra Nitrogen 20% Prosol Aminosyn II with Electrolytes Essepna Olimel 4.4% E 5% Travasol Amino Acid Injection Without Electrolytes In 20% Dextrose Aminosyn II 7% Injection Aminosyn 7% Kabiven
Indication	Used for protein synthesis.
Categories	Alanine Amino Acids Amino Acids, Peptides, and Proteins Dietary Supplements Proteinogenic Amino Acids Supplements
CAS number	56-41-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Serine--pyruvate aminotransferase	MASHKLLVTPPKALLKPLSIPNQLLLGPGPSNLPPRIMAAGGLQMIGSMS...	unknown
Alanine aminotransferase 1	MASSTGDRSQAVRHGLRAKVLTLDGMNPRVRRVEYAVRGPIVQRALELEQ...	unknown
Cysteine desulfurase, mitochondrial	MLLRAAWRRAAVAVTAAPGPKPAAPTRGLRLRVGDRAPQSAVPADTAAAP...	unknown
Proton-coupled amino acid transporter 1	MSTQRLRNEDYHDYSSTDVSPEESPSEGLNNLSSPGSYQRFGQSNSTTWF...	unknown
Large neutral amino acids transporter small subunit 2	MEEGARHRNNTEKKHPGGGESDASPEAGSGGGGVALKKEIGLVSACGIIV...	unknown
Alanine--glyoxylate aminotransferase 2, mitochondrial	MTLIWRHLLRPLCLVTSAPRILEMHPFLSLGTSRTSVTKLSLHTKPRMPP...	unknown
Alanine--tRNA ligase, cytoplasmic	MDSTLTASEIRQRFIDFFKRNEHTYVHSSATIPLDDPTLLFANAGMNQFK...	unknown
Neutral amino acid transporter A	MEKSNETNGYLDSAQAGPAAGPGAPGTAAGRARRCAGFLRRQALVLLTVS...	unknown
4-aminobutyrate aminotransferase, mitochondrial	MASMLLAQRLACSFQHSYRLLVPGSRHISQAAAKVDVEFDYDGPLMKTEV...	unknown	inhibitor
Kynureninase	MEPSSLELPADTVQRIAAELKCHPTDERVALHLDEEDKLRHFRECFYIPK...	unknown
Alanine--tRNA ligase, mitochondrial	MAASVAAAARRLRRAIRRSPAWRGLSHRPLSSEPPAAKASAVRAAFLNFF...	unknown
5-phosphohydroxy-L-lysine phospho-lyase	MAADQRPKADTLALRQRLISSSCRLFFPEDPVKIVRAQGQYMYDEQGAEY...	unknown
Alanine aminotransferase 2	MQRAAALVRRGCGPRTPSSWGRSQSSAAAEASAVLKVRPERSRRERILTL...	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	5950, 7311724
ChEMBL	CHEMBL279597
ChEBI	CHEBI:57972, CHEBI:16977
CCDC/CSD	NAFCAB, ITUSIZ, DLALNI01, DLALNI06, IMOCAO, BOPYUB, IMEGIR16, GUQBOL, DLALNI07, CADKID01, IMEGIR12, IMEGIR14, IMEGIR13, BOQTEG, HOSLIL, IMEGIR15, DEKYEZ, IMEGIR18, DLALNI12, IMEGIR, DLALNI15, IMEGIR11, IMEGIR17, IBEGEC, DLALNI11, LOKFIA, DLALNI09, DLALNI17, DLALNI21, DLALNI16, HOSMIM, DLALNI18, DLALNI20, DLALNI10, DLALNI19, DLALNI14, CAPKEL, CADKID, AHERAG, IMEGIR06, NELPUP, DLALNI13, DLALNI05, IMEGIR05, IMEGIR09, IMEGIR08, IMEGIR04, IMEGIR03, IMEGIR07, DEKYOJ, IMEGIR02, HOSLEH, DLALNI08, IMEGIR01, KERMOJ, FITHIZ, DENVAW, ALUCAL05, ALAHCL, IWOHUA, IWOJIQ
COD	2012001, 2105146, 2105149, 2105145, 2105143, 2105151, 2105155, 2105150, 2105152, 2105154, 2105144, 2105153, 2105148, 2105147, 4501605, 7050083