Drug Information

General Information
Drug ID
DR00236
Drug Name
L-valine
Synonyms
(2S)-2-amino-3-methylbutanoic acid; (S)-2-Amino-3-methylbutanoic acid; (S)-2-Amino-3-methylbutyric acid; (S)-Valine; (S)-alpha-Amino-beta-methylbutyric acid; 2-Amino-3-methylbutanoic acid, (S)-; 2-Amino-3-methylbutyric acid; 2-Amino-3-methylbutyric acid, (S)-; 72-18-4; Butanoic acid, 2-amino-3-methyl-; Butanoic acid, 2-amino-3-methyl-, (S)-; H-Val-OH; L(+)-alpha-Aminoisovaleric acid; L-alpha-Amino-beta-methylbutyric acid; L-valin; VALINE, L-; Valina [Spanish]; Valine; Valine (VAN); Valine [USAN:INN]; Valinum [Latin]
Drug Type
Small molecular drug
Indication Traumatic brain injury [ICD11:NA07.Z] preclinical [1]
Structure
3D MOL 2D MOL
Formula
C5H11NO2
Canonical SMILES
CC(C)C(C(=O)O)N
InChI
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKey
KZSNJWFQEVHDMF-BYPYZUCNSA-N
CAS Number
CAS 72-18-4
Pharmaceutical Properties Molecular Weight 117.15 Topological Polar Surface Area 63.3
Heavy Atom Count 8 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
XLogP
-2.3
PubChem CID
6287
PubChem SID
103059097 ,103059671 ,103224325 ,104234101 ,104311628 ,10533892 ,11528406 ,117365452 ,117689352 ,124384987 ,14710672 ,14716652 ,15119814 ,15218854 ,17424984 ,24890028 ,24900695 ,24900696 ,24900749 ,24902117 ,29204662 ,29225281 ,3134856 ,3483 ,46393202 ,46504886 ,49748671 ,57323321 ,57653624 ,57654728 ,595252 ,7847107 ,7891042 ,79527381 ,8025201 ,81044512 ,8143572 ,8153964 ,83100465 ,833261 ,841335 ,85164900 ,85267077 ,87350316 ,87577814 ,87692913 ,87692918 ,92297810 ,96100169 ,99224278
ChEBI ID
ChEBI:16414
TTD Drug ID
D0LL5V
DT(s) Transporting This Drug LAT3 Transporter Info L-type amino acid transporter 3 Substrate [2]
LAT4 Transporter Info L-type amino acid transporter 4 Substrate [3]
References
1 ClinicalTrials.gov (NCT01495871) Amino Acid Supplementation in Recovery From Traumatic Brain Injury
2 Identification of a novel system L amino acid transporter structurally distinct from heterodimeric amino acid transporters. J Biol Chem. 2003 Oct 31;278(44):43838-45.
3 Anticipation of food intake induces phosphorylation switch to regulate basolateral amino acid transporter LAT4 (SLC43A2) function. J Physiol. 2019 Jan;597(2):521-542.

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