VAL

VALINE

Created:	1999-07-08
Last modified:	2023-11-03

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48 entries where VAL is found as a standalone ligand68 entries where VAL is covalently linked to polymer or other heterogen groups 221,569 entries where VAL is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	1
Bond Count	18
Aromatic Bond Count	0

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Chemical Component Summary
Name	VALINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-methyl-butanoic acid
Formula	C₅ H₁₁ N O₂
Molecular Weight	117.146
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)C(C)C
SMILES	CACTVS	3.341	CC(C)[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C)C(C(=O)O)N
Canonical SMILES	CACTVS	3.341	CC(C)[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKey	InChI	1.03	KZSNJWFQEVHDMF-BYPYZUCNSA-N

Drug Info: DrugBank

DrugBank ID	DB00161
Name	Valine
Groups	approved nutraceutical
Description	Valine is a branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.
Synonyms	Valine L-alpha-Amino-beta-methylbutyric acid 2-Amino-3-methylbutyric acid (2S)-2-Amino-3-methylbutanoic acid L-valin (S)-Valine L-(+)-alpha-Aminoisovaleric acid L-valine Val
Brand Names	Smofkabiven Peripheral 2.75% Travas. Amino Acid InJ.W.elecw.25%dex 8.5% Freamine III Aminosyn RF Injection 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 BranchAmin 4.25% Travasol Amino Acid Injection With Electrolytes In 5% Dextrose Quickmix Vamin 18 Electrolyte-free NephrAmine 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 RF 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% Nephramine Liq IV 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 Bcaa 4% Inj 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	Promotes mental vigor, muscle coordination, and calm emotions. May also be of use in a minority of patients with hepatic encephalopathy and in some with phenylketonuria.
Categories	Amino Acids Amino Acids, Branched-Chain Amino Acids, Essential Amino Acids, Peptides, and Proteins Dietary Supplements Proteinogenic Amino Acids Supplements
CAS number	72-18-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Propionyl-CoA carboxylase beta chain, mitochondrial	MAAALRVAAVGARLSVLASGLRAAVRSLCSQATSVNERIENKRRTALLGG...	unknown
Branched-chain-amino-acid aminotransferase, cytosolic	MKDCSNGCSAECTGEGGSKEVVGTFKAKDLIVTPATILKEKPDPNNLVFG...	unknown
Valine--tRNA ligase	MSTLYVSPHPDAFPSLRALIAARYGEAGEGPGWGGAHPRICLQPPPTSRT...	unknown
Valine--tRNA ligase	MSTLYVSPHPDAFPSLRALIAARYGEAGEGPGWGGAHPRICLQPPPTSRT...	unknown	substrate
Propionyl-CoA carboxylase beta chain, mitochondrial	MAAALRVAAVGARLSVLASGLRAAVRSLCSQATSVNERIENKRRTALLGG...	unknown	substrate
Branched-chain-amino-acid aminotransferase, cytosolic	MKDCSNGCSAECTGEGGSKEVVGTFKAKDLIVTPATILKEKPDPNNLVFG...	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	88733505, 6287, 6971018
ChEMBL	CHEMBL43068
ChEBI	CHEBI:57762, CHEBI:16414
CCDC/CSD	FIYWIW, VALHCL12, ROKBOI02, LUDHAT, HOSMAE, WIHQUA, VALEHC11, OXEMEL, AHEJEC01, AHEJEC03, FACXUD, SONCED, VALHCL11, BANPOW, AHEJEC, BERPET, HOTXIY, VALIDL05, AHEJEC02, ABEHOF, NUZMIG, OPEFUL, UHEPIG, TUZJIJ, QURSUR, FITMEA, EWOZIZ, RUXWIQ, VALNIT01, HAGYEU, PAHCIL, GUQJUZ, DLVALC, ROKBOI, VALEHC10, OCOLID, MAZBOI, MAZBIC
COD	2203771, 2202036