UCSF

ZINC00895032

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: L-Aspartic acid L-Aspartic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10389-10-3 , 1115-63-5 , 1187-91-3 , 14007-45-5 , 17585-59-0 , 1783-96-6 , 18962-61-3 , 2068-80-6 , 323194-76-9 , 3792-50-5 , 39162-75-9 , 52921-08-1 , 56-84-8 , 617-45-8 , 67528-13-6 , 6899-03-2 , 7018-07-7 , 78333-13-8 , 923-09-1 , [14434-35-6] , [21059-46-1] , [36393-20-1] , [3792-50-5] , [5598-53-8] , [56-84-8] , [617-45-8] , [7018-07-7] , [923-09-1]

Other Names:

"DL-Aspartic acid, 99%"

(+)-Aspartate; (+)-Aspartic acid; (2S)-2-ammoniobutanedioate; (2S)-2-ammoniosuccinate; (2S)-Aspartate; (2S)-Aspartic acid; (L)-Aspartate; (L)-Aspartic acid; (R)-2-aminosuccinate; (S)-(+)-Aspartate; (S)-(+)-Aspartic acid; (S)-2-aminosuccinate; (S)-2-aminos

(+)-Aspartate; (+)-Aspartic acid; (2S)-Aspartate; (2S)-Aspartic acid; (L)-Aspartate; (L)-Aspartic acid; (R)-2-aminosuccinate; (S)-(+)-Aspartate; (S)-(+)-Aspartic acid; (S)-2-aminosuccinate; (S)-2-aminosuccinic acid; (S)-amino-Butanedioate; (S)-amino-Butan

(+)-Aspartic acid

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

(2S)-2-aminobutanedioic acid

(2S)-Aspartic acid

(2S)-Aspartic acid; (L)-ASPARTIC ACID; (S)-Aminobutanedioic acid; (S)-Aspartic acid; 2-Aminosuccinic acid; Acide aspartique [INN-French]; Acido aspartico [INN-Spanish]; Acidum asparticum; Acidum asparticum [INN-Latin]; Aminosuccinic acid; Asparagic acid

(2S)-Aspartic acid; (S)-Aminobutanedioic acid; (S)-Aspartic acid; AI3-04461; Acide aspartique [INN-French]; Acido aspartico [INN-Spanish]; Acidum asparticum; Acidum asparticum [INN-Latin]; Aminosuccinic acid; Asparagic acid; Asparagic acid (VAN); Asparagi

(L)-Aspartic 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

(S)-2-aminobutanedioic acid; (S)-2-aminosuccinic acid; L-Asparaginsaeure; L-Aspartic acid

(S)-2-Aminosuccinic acid

(S)-2-Aminosuccinic acid hydrochloride

(S)-2-Aminosuccinic acid, sodium salt

(S)-Aminobutanedioic acid

(S)-Aspartic acid

ium

18962-61-3; D02026; Magnesium L-aspartate (JAN); Magnesium aspartate

2-aminobutanedioic acid

2-Aminosuccinic acid

2-Aminosuccinic acid; 56-84-8; C00049; L-Asp; L-Aspartate; L-Aspartic acid

52921-08-1; Betaine aspartate; D07524; Somathl (TN)

56-84-8; L-aspartate; L-aspartic acid; asp; aspartate; aspartic acid

Acide aspartique [INN-French]

Acido aspartico [INN-Spanish]

Acidum asparticum

Aminosuccinic acid

Asp; (+)-Aspartate; (+)-Aspartic acid; (2S)-Aspartate; (2S)-Aspartic acid; (L)-Aspartate; (L)-Aspartic acid; (R)-2-aminosuccinate; (S)-(+)-Aspartate; (S)-(+)-Aspartic acid; (S)-2-aminosuccinate; (S)-2-aminosuccinic acid; (S)-Aminobutanedioate; (S)-Aminobu

Asp;(+)-Aspartate;(+)-Aspartic acid;(2S)-Aspartate;(2S)-Aspartic acid;(L)-Aspartate;(L)-Aspartic acid;(R)-2-aminosuccinate;(S)-(+)-Aspartate;(S)-(+)-Aspartic acid;(S)-2-aminosuccinate;(S)-2-aminosuccinic acid;(S)-amino-Butanedioate;(S)-amino-Butanedioic a

Asp;(+)-Aspartate;(+)-Aspartic acid;(2S)-Aspartate;(2S)-Aspartic acid;(L)-Aspartate;(L)-Aspartic acid;(R)-2-aminosuccinate;(S)-(+)-Aspartate;(S)-(+)-Aspartic acid;(S)-2-aminosuccinate;(S)-2-aminosuccinic acid;(S)-Aminobutanedioate;(S)-Aminobutanedioic aci

Asparagic acid

Asparaginic acid

Asparaginsaeure [German]

Aspartate

aspartic acid

Aspartic Acid (INN

ASPARTIC ACID (L)

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

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

Aspartic acid, sodium salt; EINECS 241-155-6; L-Aspartic acid, sodium salt; LS-22141; Sodium L-aspartate; Sodium aspartate; Sodium aspartate,l

ASPARTICACID L-

Aspatofort

calci-

Calcium (S)-2-amino-3-carboxypropanoate

Calcium DL-aspartate

Calcium L-aspartate

Calcium L-Aspartate (JAN)

Calciumdiaspartate

calciumDL-aspartate

CHEBI:40942; CHEBI:40853; CHEBI:40913; CHEBI:6193; CHEBI:21247

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

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-Asp-OH

H-DL-Asp-OH

L- Aspartic acid

L-(+)-Aspartic acid

L-2-Aminobutanedioic acid

L-Aminosuccinic acid

L-Asparagic acid

L-Asparaginic acid

L-Asparaginsaeure

L-Asparaginsyra

L-Aspartate Potassium (JAN)

L-Aspartate sodium

L-aspartic acid hydrochloride

L-aspartic acid magnesium salt

L-Aspartic acid monosodium salt monohydrate

L-Aspartic acid monosodium salt monohydrate, 97%

L-Aspartic acid monosodium salt monohydrate, 99%

L-Aspartic Acid [56-84-8]

L-Aspartic acid, 98+%

L-Aspartic acid, 99%, low metals content

L-Aspartic acid, ammonium salt (1:1); L-Aspartic acid, monoammonium salt; LS-195721

L-ASPARTIC ACID; [56-84-8]

L-AsparticAcid

L-Asparticacidmonosodiumsaltmonohydrate

L-Aspartinsaeure

LS-187103

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

Magnesium (S)-3-amino-3-carboxypropanoate

Magnesium L-Aspartate

Magnesiumdihydrogendi-L-aspartate

MFCD00002616

MFCD00020388

MFCD00021083

MFCD00037209

MFCD00044935

MFCD00045869

MFCD00063082

MFCD00063083

MFCD00063084

MFCD00083237

MFCD00148874

MFCD00150700

MFCD00152960

MFCD00801135

MFCD03791094

MFCD03939526

MFCD09953432

MI

MonoSodium L-aspartate

N/A

NA

Potassium (S)-2-aminosuccinate

Potassium 3-amino-3-carboxypropanoate

Potassium Aspartate And Magnesium Aspartate (JAN

Potassium hydrogen DL-aspartate

Potassium L-aspartate

PotassiuM L-Aspartate Hydrate

Potassium magnesium l-aspartate

Sodium L-aspartate monohydrate

USAN

USAN)

USP); L-Aspartic Acid (JAN)

WY-2837; WY-2838

Zinc L-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 1 -52.73 3 5 -1 108 132.095 3 ↓
Lo Low (pH 4.5-6) -3.52 -1.01 -32.41 4 5 0 105 133.103 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.42e+02 g/l DrugBank-nutriceuticals
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
Mp [°C] >300 Acros Organics
Melting_Point >300? dec. Alfa-Aesar
Melting_Point >300° dec. Alfa-Aesar
Therapy Endogenous excitatory amino acid neurotransmitter SMDC Pharmakon
Patent Database Links EP0771793; EP1127869; EP1236716; EP1422218; EP1566383; EP1568283; EP1609462; EP1616963; EP1627884; EP1745791; EP1752146; EP1762232; EP1829540; EP1849466; EP1875816; EP1958615; EP1961759; EP1967186; EP1983044; GB1565032; GB2068971; GB2084155; GB2096992; US 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
Warnings IRRITANT Matrix Scientific
Reactome Database Links REACT_108; REACT_111140; REACT_111222; REACT_121130; REACT_14830; REACT_15346; REACT_15437; REACT_1558; REACT_1632; REACT_1719; REACT_19313; REACT_19362; REACT_19377; REACT_1965; REACT_2078; REACT_277; REACT_280; REACT_482; REACT_75867; REACT_75920 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
SOLUBILITY SOLUBLE Indofine
PUBCHEM_PATENT_ID US5455267; US5627204; US5675023 IBM Patent Data

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 1638 0.90 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
Abnormal metabolism in phenylketonuria
Amino acid metabolism
Amino acid synthesis and interconversion (transamination)
Antigen Presentation: Folding, assembly and peptide loading of class I MHC
Antigen processing: Ubiquitination & Proteasome degradation
Arginine metabolism
Cross-presentation of soluble exogenous antigens (endosomes)
Cytosolic tRNA aminoacylation
De novo synthesis of AMP
De novo synthesis of IMP
De novo synthesis of UMP
Endosomal/Vacuolar pathway
ER-Phagosome pathway
Gluconeogenesis
Glutathione synthesis and recycling
HS-GAG degradation
Mitochondrial tRNA aminoacylation
Proton/oligonucleotide cotransporters
Purine ribonucleoside monophosphate biosynthesis
Pyrimidine biosynthesis
Transport of inorganic cations/anions and amino acids/oligopeptides
Urea cycle

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

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