General Information of DIG (ID: E04ZMC)
DIG Name
Valine
Synonyms    Click to Show/Hide the Synonyms of This DIG
L-valine; valine; 72-18-4; (S)-Valine; H-Val-OH; (S)-2-Amino-3-methylbutanoic acid; 2-Amino-3-methylbutyric acid; (2S)-2-amino-3-methylbutanoic acid; (S)-2-Amino-3-methylbutyric acid; L-alpha-Amino-beta-methylbutyric acid; Valinum [Latin]; Valina [Spanish]; Valine (VAN); Butanoic acid, 2-amino-3-methyl-; Valine [USAN:INN]; L-valin; VALINE, L-; L(+)-alpha-Aminoisovaleric acid; (S)-alpha-Amino-beta-methylbutyric acid; Butanoic acid, 2-amino-3-methyl-, (S)-; 2-Amino-3-methylbutyric acid, (S)-; 2-Amino-3-methylbutanoic acid, (S)-; L-2-Aminoisovaleric Acid; UNII-HG18B9YRS7; MFCD00064220; NSC 76038; (L)-valine; 2-Amino-3-methylbutanoic acid (VAN); CHEBI:16414; L-2-Amino-3-methylbutanoic acid; l-(+)-alpha-Aminoisovaleric acid; L-Valine, 99%; val; valina; HG18B9YRS7; (S)-alpha-Aminoisovaleric acid; NSC-76038; Valine (L-Valine); L-Val; Valinum; 2-aminoisovaleric acid; (2S)-2-amino-3-methylbutanoate; alpha-aminoisovaleric acid; EINECS 200-773-6; 2-Amino-3-methyl-butyric acid; Polyvaline; 2-amino-3-methylbutanoate; Racemic valine; L-(+)-a-Aminoisovaleric acid; s-valin; L-(+)-.alpha.-Aminoisovaleric acid; L-a-Amino-b-methylbutyric acid; HSDB 7800; 3h-l-valine; (S)-a-Amino-b-methylbutyric acid; L-Valine;; Poly(L-val); L-Valine, FCC; Valine (USP); (+)-valine; L-Valine,(S); L-Valine, homopolymer; L-Valine, USP Grade; PubChem23325; 1t4s; L-Valine (JP17); (S)-Val; L-Val-4; L-VAL-OH; 2-Amino-3-methylbutyrate; bmse000052; bmse000811; bmse000860; EC 200-773-6; L-(+)-a-Aminoisovalerate; L-a-Amino-b-methylbutyrate; SCHEMBL8516; (S)-A-Aminoisovaleric acid; H-Val-2-Chlorotrityl Resin; (S)-?-Aminoisovaleric acid; 2-Aminoisovaleric acid,(S); CHEMBL43068; (S)-a-Amino-b-methylbutyrate; L-(+)-alpha-Aminoisovalerate; L-iso-C3H7CH(NH2)COOH; GTPL4794; (S)-2-Amino-3-methylbutyrate; (S)-2-Amino-3-methylbutanoate; L-Valine, Cell Culture Reagent; DTXSID40883233; L-alpha-Amino-beta-methylbutyrate; (S)-2-amino-3-methyl-Butanoate; Pharmakon1600-01301009; ZINC895099; HY-N0717; (S)-alpha-Amino-beta-methylbutyrate; (S)-2-amino-3-methyl-butyric acid; ANW-36167; BDBM50463208; NSC760111; s5628; (S)-2-amino-3-methyl-Butanoic acid; L-Valine, 98.5-101.5%; AKOS015841564; AB02570; AM82363; CC(C)[C@H](N)C([O])=O; CCG-266067; CS-W020706; DB00161; L-Valine, 99%, natural, FCC, FG; MCULE-9143825935; NSC 125673; NSC-760111; NCGC00344520-01; AS-12787; K180; L-Valine, BioUltra, >=99.5% (NT); L-Valine, SAJ special grade, >=98.5%; AB0014076; DB-029989; L-Valine, reagent grade, >=98% (HPLC); L-Valine, Vetec(TM) reagent grade, >=98%; C00183; D00039; M-6089; M02950; V-1800; (S)-(+)-2-AMINO-3-METHYLBUTYRIC ACID; 064V220; 192321-EP2272829A2; Q483752; Q-100919; L-Valine, certified reference material, TraceCERT(R); F8889-8698; Valine, European Pharmacopoeia (EP) Reference Standard; Z1250208665; 1B39571B-0AE8-4A9A-AE80-4B898D11A981; UNII-0O72R8RF8A component KZSNJWFQEVHDMF-BYPYZUCNSA-N; UNII-4CA13A832H component KZSNJWFQEVHDMF-BYPYZUCNSA-N; UNII-66PZQ62YA6 component KZSNJWFQEVHDMF-BYPYZUCNSA-N; UNII-N7U7BXP2OI component KZSNJWFQEVHDMF-BYPYZUCNSA-N; L-Valine, United States Pharmacopeia (USP) Reference Standard; L-Valine, Pharmaceutical Secondary Standard; Certified Reference Material; L-Valine, from non-animal source, meets EP, JP, USP testing specifications, suitable for cell culture, 98.5-101.0%; L-Valine, PharmaGrade, Ajinomoto, EP, JP, USP, manufactured under appropriate GMP controls for Pharma or Biopharmaceutical production, suitable for cell culture
DIG Function
Buffering agent
PubChem CID
6287
Formula
C5H11NO2
Canonical SMILES
CC(C)[C@@H](C(=O)O)N
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
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=6287"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 117.15 Topological Polar Surface Area 63.3
XlogP -2.3 Complexity 90.4
Heavy Atom Count 8 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Potential-driven transporter (PDT)
            DBT Name: Integral membrane E16 (SLC7A5) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 68000 nM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID LAT1_HUMAN
References
1 Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1). J Med Chem. 2018 Aug 23; 61(16):7358-7373.

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