UCSF

ZINC00895099

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 8 Yes

Popular Name: L-Valine L-Valine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 14330-62-2 , 17498-50-9 , 516-06-3 , 640-68-6 , 72-18-4 , [516-06-3] , [7004-03-7] , [72-18-4]

Other Names:

"DL-Valine, 98%"

"L-Valine, 99%"

(+/-)-2-Amino-3-methylbutyric acid

(2S)-2-amino-3-methyl-butanoic acid

(2S)-2-Amino-3-methylbutanoate; (2S)-2-Amino-3-methylbutanoic acid; (S)-2-amino-3-methyl-Butanoate; (S)-2-amino-3-methyl-Butanoic acid; (S)-2-Amino-3-methylbutanoate; (S)-2-Amino-3-methylbutanoic acid; (S)-2-Amino-3-methylbutyrate; (S)-2-Amino-3-methylbut

(2S)-2-Amino-3-methylbutanoate; (2S)-2-Amino-3-methylbutanoic acid; (S)-2-Amino-3-methylbutanoate; (S)-2-Amino-3-methylbutanoic acid; (S)-2-Amino-3-methylbutyrate; (S)-2-Amino-3-methylbutyric acid; (S)-2-amino-3-methyl-Butanoate; (S)-2-amino-3-methyl-Buta

(2S)-2-Amino-3-methylbutanoate;(2S)-2-Amino-3-methylbutanoic acid;(S)-2-amino-3-methyl-Butanoate;(S)-2-amino-3-methyl-Butanoic acid;(S)-2-Amino-3-methylbutanoate;(S)-2-Amino-3-methylbutanoic acid;(S)-2-Amino-3-methylbutyrate;(S)-2-Amino-3-methylbutyric ac

(2S)-2-Amino-3-methylbutanoate;(2S)-2-Amino-3-methylbutanoic acid;(S)-2-Amino-3-methylbutanoate;(S)-2-Amino-3-methylbutanoic acid;(S)-2-Amino-3-methylbutyrate;(S)-2-Amino-3-methylbutyric acid;(S)-2-amino-3-methyl-Butanoate;(S)-2-amino-3-methyl-Butanoic ac

(2S)-2-Amino-3-methylbutanoic acid

(2S)-2-amino-3-methylbutanoic acid; (S)-valine; L-(+)-alpha-Aminoisovaleric acid; L-Valin; L-alpha-Amino-beta-methylbutyric acid

(2S)-2-ammonio-3-methylbutanoate; L-valine

(S)-(+)-2-Amino-3-methylbutyric acid

(S)-2-Amino-3-methylbutanoic acid

(S)-2-Amino-3-methylbutanoic acid hydrochloride

(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; 2-Amino-3-methylbutanoic acid (VAN); 2-Amino-3-methylbutanoic acid, (S)-; 2-Amino-3-methylbutyric acid

(S)-2-Amino-3-methylbutyric acid

(S)-a-Amino-b-methylbutyric acid

(S)-alpha-Aminoisovaleric acid, (L)-2-Amino-3-methylbutanoic acid

(S)-Valine

(±)-alpha-Aminoisovaleric acid

2-Amino-3-methylbutanoic acid

2-amino-3-methylbutanoic acid; DL-valine; Hval; Valin; valina

2-Amino-3-methylbutyric acid

2-Amino-3-methylbutyric acid; 72-18-4; C00183; L-Valine

516-06-3; C16436; Valine

72-18-4; D00039; L-Valine (JP16); Valine (USP)

72-18-4; L-valine; val; valine

Bis(DL-valinato)cobalt trihydrate; Cobalt, bis(DL-valinato)-, trihydrate; LS-54560

CHEBI:46376; CHEBI:46282; CHEBI:46484; CHEBI:46418; CHEBI:21417; CHEBI:13186; CHEBI:6321

D-Valine

DL-2-Amino-3-methylbutanoic acid

DL-2-Aminoisovaleric acid

DL-Valine

DL-Valine, 99%

DL-Valine, extra pure

H-Val-OH

L-(+)-a-Aminoisovaleric acid

L-2-Aminoisovaleric acid

L-a-Amino-b-methylbutyric acid

L-Valine (JAN); Valine (INN

L-Valine sodium; L-Valine sodium salt; L-Valine, monosodium salt; LS-161333; Sodium (S)-valinate; Sodium L-valinate; Valine sodium; Valine sodium salt; Valine, monosodium salt, L-

L-valine zwitterion

L-Valine [72-18-4]

L-Valine, 99%

L-VALINE, [1-14C]-

L-VALINE,[1-14C]-

L-VALINE; [72-18-4]

L-ValineHydrochloride

MFCD00004267

MFCD00064220

MFCD03791069

N/A

USAN

USP)

Valine

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.91 -1.67 -41.78 3 3 0 67 117.148 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.14e+02 g/l DrugBank-nutriceuticals
MP 295-300 °C (subl.)(lit.) Indofine
MP 295-300°(sub.) Oakwood Chemical
UniProt Database Links 2ENR_CLOTY; 3HID1_ARATH; 3HID2_ARATH; 3HID3_ARATH; 3HIDH_ARATH; 3HIDH_BOVIN; 3HIDH_CAEEL; 3HIDH_DICDI; 3HIDH_DROME; 3HIDH_HUMAN; 3HIDH_MESAU; 3HIDH_MOUSE; 3HIDH_PONAB; 3HIDH_RABIT; 3HIDH_RAT; 4F2_MOUSE; AAAA_EMENI; AAAA_PENCH; AAP1_ARATH; AAP5_ARATH; ABCA ChEBI
UniProt Database Links 2ENR_CLOTY; 3HID1_ARATH; 3HID2_ARATH; 3HID3_ARATH; 3HIDH_ARATH; 3HIDH_BOVIN; 3HIDH_CAEEL; 3HIDH_DICDI; 3HIDH_DROME; 3HIDH_HUMAN; 3HIDH_MESAU; 3HIDH_MOUSE; 3HIDH_PONAB; 3HIDH_RABIT; 3HIDH_RAT; 4F2_MOUSE; AAAA_EMENI; AAAA_PENCH; AAP1_ARATH; AAP5_ARATH; ACAD ChEBI
Mp [°C] 315 Acros Organics
UniProt Database Links 3HID1_ARATH; 3HID2_ARATH; 3HID3_ARATH; 3HIDH_ARATH; 3HIDH_BOVIN; 3HIDH_CAEEL; 3HIDH_DICDI; 3HIDH_DROME; 3HIDH_HUMAN; 3HIDH_MESAU; 3HIDH_MOUSE; 3HIDH_PONAB; 3HIDH_RABIT; 3HIDH_RAT; AAAA_EMENI; AAAA_PENCH; ACAD8_BOVIN; ACAD8_DICDI; ACAD8_HUMAN; ACAD8_MOUSE ChEBI
Purity 98% Fluorochem
Melting_Point ca 296? subl. Alfa-Aesar
Melting_Point ca 296° subl. Alfa-Aesar
Melting_Point ca 315? Alfa-Aesar
Melting_Point ca 315° Alfa-Aesar
Patent Database Links EP0806203; EP0806411; EP0811599; EP0811600; EP0898963; EP0922699; EP0933365; EP1028125; EP1113008; EP1114822; EP1123929; EP1132380; EP1182199; EP1219634; EP1229029; EP1323419; EP1323420; EP1336604; EP1338588; EP1348759; EP1364941; EP1422218; EP1496060; EP ChEBI
Patent Database Links EP0928790; EP1123935; EP1127869; EP1422218; EP1514554; EP1568283; EP1582208; EP1609462; EP1616963; EP1627884; EP1632233; EP1714649; EP1762232; EP1774858; EP1849466; EP1869977; EP1870419; EP1908750; EP1935417; EP1983044; GB1565032; US2004034080; US20050269 ChEBI
SOLUBILITY H2O: 25 mg/mL Indofine
Reactome Database Links REACT_111140; REACT_111222; REACT_1136; REACT_13479; REACT_13482; REACT_13593; REACT_13642; REACT_13741; REACT_14802; REACT_14843; REACT_15329; REACT_15429; REACT_19313; REACT_19377; REACT_2034; REACT_21283; REACT_21409; REACT_75867; REACT_75920 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Notes USP, pyrogen free Apollo Scientific Bioactives
PUBCHEM_PATENT_ID WO1995029165A2 IBM Patent Data

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Amino acid transport across the plasma membrane
Antigen Presentation: Folding, assembly and peptide loading of class I MHC
Antigen processing: Ubiquitination & Proteasome degradation
Branched-chain amino acid catabolism
Cross-presentation of soluble exogenous antigens (endosomes)
Cytosolic tRNA aminoacylation
Endosomal/Vacuolar pathway
ER-Phagosome pathway
Glutathione synthesis and recycling
Mitochondrial tRNA aminoacylation
Na+/Cl- dependent neurotransmitter transporters
Proton/oligonucleotide cotransporters

Analogs ( Draw Identity 99% 90% 80% 70% )