UCSF

ZINC00895103

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 8 Yes

Popular Name: L-Threonine L-Threonine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 144-98-9 , 24830-94-2 , 28954-12-3 , 6028-28-0 , 632-20-2 , 7004-04-8 , 72-19-5 , 80-68-2 , [72-19-5] , [80-68-2]

Other Names:

"L-Threonine, 99%"

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

(2S)-threonine; (2S,3R)-(-)-Threonine; (2S,3R)-2-amino-3-hydroxybutanoic acid; L-(-)-Threonine; L-2-Amino-3-hydroxybutyric acid; L-Threonin; L-alpha-amino-beta-hydroxybutyric acid; THREONINE

(2S,3R)-(-)-Threonine; (2S,3R)-2-Amino-3-hydroxybutyrate; (2S,3R)-2-Amino-3-hydroxybutyric acid; (R-(R*,S*))-2-Amino-3-hydroxybutanoate; (R-(R*,S*))-2-Amino-3-hydroxybutanoic acid; (S)-Threonine; 2-Amino-3-hydroxybutanoate; 2-Amino-3-hydroxybutanoic acid

(2S,3R)-(-)-Threonine; (2S,3R)-2-Amino-3-hydroxybutyrate; (2S,3R)-2-Amino-3-hydroxybutyric acid; (R-(R*,S*))-2-Amino-3-hydroxybutanoate; (R-(R*,S*))-2-Amino-3-hydroxybutanoic acid; (S)-Threonine; [R-(R*,S*)]-2-amino-3-hydroxy-Butanoate; [R-(R*,S*)]-2-amin

(2S,3R)-(-)-Threonine;(2S,3R)-2-Amino-3-hydroxybutyrate;(2S,3R)-2-Amino-3-hydroxybutyric acid;(R-(R*,S*))-2-Amino-3-hydroxybutanoate;(R-(R*,S*))-2-Amino-3-hydroxybutanoic acid;(S)-Threonine;2-Amino-3-hydroxybutanoate;2-Amino-3-hydroxybutanoic acid;2-Amino

(2S,3R)-2-amino-3-hydroxybutanoate; L-threonine anion

(2S,3R)-2-Amino-3-hydroxybutanoic acid

(2S,3R)-2-Amino-3-hydroxybutyric acid

(2S,3R)-2-ammonio-3-hydroxybutanoate; L-threonine

(S)-Threonine

(S)-Threonine; 2-Amino-3-hydroxybutanoic acid, (R-(R*,S*))-; 2-Amino-3-hydroxybutyric acid; Butanoic acid, 2-amino-3-hydroxy-, (R-(R*,S*))-; EINECS 200-774-1; L-Threonine; LS-153745; NSC 16589; NSC 46701; Threonin; Threonine; Threonine (VAN); Threonine [U

(S)-Threonine; 2-Amino-3-hydroxybutanoic acid, (R-(R*,S*))-; 2-Amino-3-hydroxybutyric acid; Butanoic acid, 2-amino-3-hydroxy-, (R-(R*,S*))-; L-Threonine; Threonin; Threonine; Threonine, L-; Threoninum [Latin]; Treonina [Spanish]; bmse000859

2-amino-3-hydroxybutanoic acid

2-Amino-3-hydroxybutyric acid

2-Amino-3-hydroxybutyric acid; 72-19-5; C00188; L-Threonine

2-amino-3-hydroxybutyric acid; 72-19-5; L-thr; L-threonine; thr; thre; threonine

72-19-5; D00041; L-Threonine (JP16); Threonine (USP)

AI3-18477; DL-2-Amino-3-hydroxybutanoic acid; EINECS 201-300-6; LS-170797; NSC 206292; Threonine; Threonine, DL-

allo-DL-Threonine

CHEBI:45843; CHEBI:45983; CHEBI:42083; CHEBI:6308; CHEBI:13175; CHEBI:21403

D(-)-allo-Threonine

D-Allo-Threonine

D-Threonine

DL-allo-Threonine

DL-Allothreonine (contains Threonine)

DL-Threonine

DL-Threonine [80-68-2]

DL-Threonine, 99%

DL-THREONINE; [80-68-2]

H-D-allo-Thr-OH

H-DL-Thr-OH

H-Thr-OH

L(+)-allo-Threonine

L-(-)-Threonine

L-allo-Threonine

L-Allothreonine

L-threoninate

L-Threonine (JAN); Threonine (INN

L-threonine zwitterion

L-Threonine, 98%

L-Threonine, 98+%

MFCD00063722

MFCD00064270

MFCD00066665

MFCD00067248

NA

Threonin

Threonin; (2S,3R)-(-)-Threonine; (2S,3R)-2-Amino-3-hydroxybutyrate; (2S,3R)-2-Amino-3-hydroxybutyric acid; (R-(R*,S*))-2-Amino-3-hydroxybutanoate; (R-(R*,S*))-2-Amino-3-hydroxybutanoic acid; (S)-Threonine; 2-Amino-3-hydroxybutanoate; 2-Amino-3-hydroxybuta

Threonin;(2S,3R)-(-)-Threonine;(2S,3R)-2-Amino-3-hydroxybutyrate;(2S,3R)-2-Amino-3-hydroxybutyric acid;(R-(R*,S*))-2-Amino-3-hydroxybutanoate;(R-(R*,S*))-2-Amino-3-hydroxybutanoic acid;(S)-Threonine;2-Amino-3-hydroxybutanoate;2-Amino-3-hydroxybutanoic aci

threonine

THREONINE L-

USAN

USP)

[R-(R*,S*)]-2-Amino-3-hydroxybutanoic acid

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) -3.30 -2.11 -39.77 4 4 0 88 119.12 2 ↓
Hi High (pH 8-9.5) -3.30 -2.39 -45.14 3 4 -1 86 118.112 2 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 040R_FRG3G; 049R_IIV3; 051R_FRG3G; 1433Z_BOVIN; 1433Z_HUMAN; 1433Z_MOUSE; 1433Z_PONAB; 1433Z_RAT; 1433Z_SHEEP; 1A1C_DIACA; 1A_PZSVT; 41_CANFA; 41_DROME; 443R_IIV6; 4EBP1_BOVIN; 4EBP1_HUMAN; 4EBP1_MOUSE; 4EBP1_RAT; 4EBP2_HUMAN; 4EBP2_MOUSE; 4EBP_DICDI; 4FT ChEBI
MP 244 °C (dec.)(lit.) Indofine
Mp [°C] 255 Acros Organics
Melting_Point 255? dec. Alfa-Aesar
Melting_Point 255° dec. Alfa-Aesar
MP 28 - 30 Enamine Building Blocks
MP 28...30 Enamine Building Blocks
ALOGPS_SOLUBILITY 4.77e+02 g/l DrugBank-nutriceuticals
UniProt Database Links 4FTAS_STRCT; AK1H_ECOLI; AK1H_SERMA; AK1_ARATH; AK1_BACSU; AK2H_ECOLI; AK2_ARATH; AK2_BACSU; AK3_ARATH; AK3_BACSU; AKH1_ARATH; AKH1_MAIZE; AKH2_ARATH; AKH2_MAIZE; AKH_BUCAI; AKH_BUCAP; AKH_BUCBP; AKH_DAUCA; AKH_HAEIN; AK_AQUAE; AK_BACSG; AK_CHLMU; AK_CHLP ChEBI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% APIChem
Purity 98% Fluorochem
Melting_Point ca 244? dec. Alfa-Aesar
Melting_Point ca 244° dec. Alfa-Aesar
Patent Database Links EP0898963; EP0922699; EP0933365; EP0951842; EP0971025; EP1106609; EP1113008; EP1123929; EP1219634; EP1323419; EP1323420; EP1348759; EP1364941; EP1422218; EP1505062; EP1512413; EP1536000; EP1550720; EP1552826; EP1557173; EP1566180; EP1566181; EP1574578; EP ChEBI
Patent Database Links EP0928790; EP1127869; EP1135995; EP1256572; EP1422218; EP1568283; EP1609462; EP1616963; EP1627884; EP1632233; EP1657249; EP1698638; EP1762232; EP1849466; EP1869977; EP1938798; EP1983044; US2004034080; US2005101540; US2006223760; US2007190057; US2007197430 ChEBI
Warnings IRRITANT Matrix Scientific
Reactome Database Links REACT_111140; REACT_111222; REACT_13449; REACT_13455; REACT_13482; REACT_13531; REACT_13593; REACT_13618; REACT_13745; REACT_14851; REACT_15330; REACT_15487; REACT_19313; REACT_19377; REACT_75867; REACT_75920 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID US4730048; US4806556 IBM Patent Data
PUBCHEM_PATENT_ID US5559079 IBM Patent Data
Notes USP, pyrogen free Apollo Scientific Bioactives

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
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% )