UCSF

ZINC00895218

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 9 Yes

Popular Name: D-Aspartic acid D-Aspartic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10389-10-3 , 1115-63-5 , 1187-91-3 , 1783-96-6 , 18962-61-3 , 2058-58-4 , 2068-80-6 , 323194-76-9 , 39162-75-9 , 56-84-8 , 617-45-8 , 7018-07-7 , 78333-14-9 , 923-09-1 , [1187-91-3] , [14434-35-6] , [1783-96-6] , [5598-53-8] , [617-45-8] , [7018-07-7] , [923-09-1]

Other Names:

"L-Aspartic acid potassium salt, 99%"

"L-Aspartic acid, 98%"

(+-)-Aspartic acid; (R,S)-Aspartic acid; 2-aminobutanedioic acid; Asp; D; DL-Aminosuccinic acid; DL-Asparagic acid

(-)-Aspartic acid; (2R)-2-Aminobutanedioate; (2R)-2-Aminobutanedioic acid; (R)-2-Aminobutanedioate; (R)-2-Aminobutanedioic acid; (R)-2-Aminosuccinic acid; (R)-Aspartic acid; 1-Amino-1,2-carboxyethane; Aspartic acid; D-(-)-Aspartic acid; D-Asparaginsaeure

(-)-Aspartic acid; (R)-Aspartic acid; Aspartic acid D-form; Aspartic acid, D-; BRN 1723529; D-Aspartate; D-Aspartic acid; NSC 97922; bmse000273

(-)-Aspartic acid;(2R)-2-Aminobutanedioate;(2R)-2-Aminobutanedioic acid;(R)-2-Aminobutanedioate;(R)-2-Aminobutanedioic acid;(R)-2-Aminosuccinic acid;(R)-Aspartic acid;1-Amino-1,2-carboxyethane;Aspartic acid;D-(-)-Aspartic acid;D-Asparaginsaeure;D-Aspartat

(2R)-2-aminobutanedioic acid

(L-Aspartato(2-)-N,O(sup 1),O(sup 4))chloromagnesate(1-) hydrogen (T-4) trihydrate; LS-88576; Magnesate(1-), (L-aspartato(2-)-N,O(sup 1),O(sup 4))chloro-, hydrogen, (T-4), trihydrate; Magnesium L-aspartate hydrochloride trihydrate; Magnesium aspartate hyd

(R)-(-)-AMINOSUCCINIC ACID

(R)-2-aminobutanedioic acid; (R)-2-aminosuccinic acid; D-Asparaginsaeure; aspartic acid D-form

(R)-2-Aminosuccinic acid

1783-96-6; C00402; D-Aspartate; D-Aspartic acid

1783-96-6; CPD-302; D-aspartate; D-aspartic acid

2-aminobutanedioic acid

2-Aminosuccinic acid

617-45-8; Aspartate; Aspartic acid; C16433

Aspara K; Aspartic acid potassium salt; Aspartic acid, potassium salt; Aspartic acid, potassium salt, L-; EINECS 237-814-2; K-Flebo; L-Aspartic acid, potassium salt; LS-22138; Potassium L-aspartate; Potassium aspartate

aspartic acid

Aspartic acid, d-[2,3-3h]

Aspartic acid, lead salt; Colloidal lead aspartate; LS-87672; Lead aspartate; Lead, (L-aspartato(2-)-N,O1,O4)-; Lead, (aspartato)-

ASPARTICACID D-

Calcium DL-aspartate

Calciumdiaspartate

calciumDL-aspartate

CHEBI:4108; CHEBI:20920

Copper-DL-aspartate; Cuprate(2-)-, bis(DL-aspartato(2-)-N,O(sup 1))-, dihydrogen; DL-Aspartic acid, copper salt; LS-55689

CPD-12992; beta-aspartate

D(-)-Aspartic acid, 99+%

D-(-)-Aspartic acid

D-Aminosuccinic acid

D-Asparagine monohydrate

D-Aspartic Acid [1783-96-6]

D-Aspartic acid, 99%

D-ASPARTIC ACID; [1783-96-6]

D-AsparticAcid

DL-Aminosuccinic acid

DL-Aspartic acid

dl-aspartic acid hemimagnesium

Dl-aspartic acid hemimagnesium salt

DL-Aspartic acid magnesium salt

DL-Aspartic acid potassium

DL-Aspartic acid potassium salt

DL-Aspartic Acid [617-45-8]

DL-Aspartic acid, 98+%

DL-Aspartic acid, 99+%

DL-ASPARTIC ACID; [617-45-8]

DL-AsparticAcid

DL-Asparticacidhemimagnesiumsalt

H-D-Asp-OH

H-DL-Asp-OH

L-Aspartate Potassium (JAN)

L-AsparticAcid

L-Asparticacidmonosodiumsaltmonohydrate

LS-187103

Magnesate(2-),bis[L-aspartato(2-)-kN,kO1]-, hydrogen (1:2), (T-4)-

Magnesiumdihydrogendi-L-aspartate

MFCD00020388

MFCD00037209

MFCD00063081

MFCD00063082

MFCD00063083

MFCD00063084

MFCD00083238

MFCD00150700

MFCD10567447

Monosodium L-aspartate

OR-3386

Potassium 3-amino-3-carboxypropanoate

Potassium hydrogen DL-aspartate

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) -3.52 0.98 -52.92 3 5 -1 108 132.095 3 ↓
Lo Low (pH 4.5-6) -3.52 -1 -32.03 4 5 0 105 133.103 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.42e+02 g/l DrugBank-experimental
UniProt Database Links 2ABA_CANTR; 2SS_SOYBN; 3CP1_STRS9; 3CP2_STRSQ; 5EAS1_NICAT; 5EAS2_NICAT; 5EAS3_NICAT; 5EAS4_NICAT; 5EAS_CAPAN; 5EAS_TOBAC; A11_FOWPN; A19_VACCA; A19_VACCC; A19_VACCW; A1AT_HUMAN; A26_VACCW; A26_VAR67; A31_VACCC; A31_VACCW; A31_VAR67; A435_VACCW; A4_CAEEL ChEBI
MP 300 - 302 Enamine Building Blocks
MP 300 °C Indofine
MP 300...302 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 99% Fluorochem
Mp [°C] >300 Acros Organics
MP >300 °C(lit.) Indofine
Melting_Point >300? dec. Alfa-Aesar
MP >300° Matrix Scientific
Melting_Point >300° dec. Alfa-Aesar
UniProt Database Links DAAA_BACLI; DAAA_BACSU; DAAA_BACYM; DAAA_LISIN; DAAA_LISM4; DAAA_LISMF; DAAA_LISMO; DAAA_LYSSH; DAAA_STAAC; DAAA_STAAM; DAAA_STAAN; DAAA_STAAR; DAAA_STAAS; DAAA_STAAW; DAAA_STAEQ; DAAA_STAES; DAAA_STAHA; DAPDH_URETH; EAA1_AMBTI; EAA1_BOVIN; EAA1_CAEEL; EA ChEBI
Patent Database Links EP0898963; EP0922699; EP0933365; EP0945454; EP0955046; EP0971025; EP1106609; EP1113008; EP1123929; EP1132380; EP1148058; EP1188744; EP1214933; EP1236754; EP1316316; EP1364941; EP1366760; EP1498117; EP1500393; EP1514560; EP1516616; EP1516930; EP1532990; EP ChEBI
Patent Database Links EP1236716; EP1566383; EP1586583; EP1683520; EP1704878; EP1745791; US2005085547; US2005130881; US2007197430; US2007213257; US7256172; WO2005080370; WO2008127060 ChEBI
Warnings IRRITANT Matrix Scientific
Reactome Database Links REACT_19362 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
SOLUBILITY SOLUBLE Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-3-O Glutamate NMDA Receptor (cluster #3 Of 7), Other Other 10000 0.78 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 10000 0.78 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Transport of inorganic cations/anions and amino acids/oligopeptides

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

No pre-computed analogs available. Try a structural similarity search.