UCSF

ZINC02446417

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2004 12 Yes

Popular Name: N-Acetyl-L-aspartic acid N-Acetyl-L-aspartic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2545-40-6 , 997-55-7 , [2545-40-6]

Other Names:

(2R)-2-amino-4-phenyl-butanoic acid

(2R)-2-amino-4-phenylbutanoic acid

(2S)-2-acetamidobutanedioate; (2S)-2-acetamidobutanedioic acid; (S)-2-(acetylamino)butanedioate; (S)-2-(acetylamino)butanedioic acid; (S)-2-(acetylamino)succinic acid; Acetyl-L-aspartate; Acetyl-L-aspartic acid; Acetylaspartate; Acetylaspartic acid; L-N-A

(2S)-2-acetamidobutanedioate;(2S)-2-acetamidobutanedioic acid;(S)-2-(acetylamino)butanedioate;(S)-2-(acetylamino)butanedioic acid;(S)-2-(acetylamino)succinic acid;Acetyl-L-aspartate;Acetyl-L-aspartic acid;Acetylaspartate;Acetylaspartic acid;L-N-Acetylaspa

(2S)-2-acetamidobutanedioic acid; (S)-2-(acetylamino)butanedioic acid; (S)-2-(acetylamino)succinic acid; Acetyl-L-aspartic acid; Acetylaspartic acid; L-Aspartic acid, N-acetyl-; L-N-Acetylaspartic acid; N-Acetyl-L-aspartate; N-Acetylaspartate; N-Acetylasp

(S)-2-(acetylamino)butanedioic acid; (S)-2-(acetylamino)succinic acid; L-N-acetylaspartic acid; N-acetylaspartic acid; NAA; acetyl-L-aspartic acid; acetylaspartic acid

(S)-2-(acetylamino)succinate; N-acetyl-L-aspartate

(S)-2-Acetamidosuccinic acid

(S)-2-Acetamidosuccinicacid

2-Acetamidosuccinic acid

2-Acetamidosuccinicacid

2545-40-6; Aspartic acid, N-acetyl (R,S); Prestwick_712

997-55-7; C01042; N-Acetyl-L-aspartate; N-Acetyl-L-aspartic acid

Ac-Asp-OH

Acetyl N-(D3)-Aspartic Acid

Acetyl-L-aspartic acid

CHEBI:12574; CHEBI:21546; CHEBI:7149

CPD-420; N-Acetyl-L-aspartate; N-acetyl-alpha-L-aspartate

LS-22066

MFCD00020500

MFCD00063183

N-Acetyl-aspartic acid

N-Acetyl-DL-asparagine

N-Acetyl-DL-aspartic acid

N-acetyl-L-aspartate(2-)

n-acetylaspartic 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) -3.25 2.42 -109.54 1 6 -2 109 173.124 4 ↓
Lo Low (pH 4.5-6) -3.25 0.43 -45.96 2 6 -1 107 174.132 4 ↓
Lo Low (pH 4.5-6) -3.25 0.44 -52.27 2 6 -1 107 174.132 4 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ACY2_BOVIN; ACY2_DANRE; ACY2_HUMAN; ACY2_MACFA; ACY2_MOUSE; ACY2_PIG; ACY2_PONAB; ACY2_RAT; ACY2_XENTR; ARGOS_BRARP; ARGOS_ORYSJ; CGT_FRAAN; GH317_ARATH; GH32_ARATH; GH33_ARATH; GH34_ARATH; GH35_ARATH; GH36_ARATH; HYPC_ASPFN; NAT8L_DANRE; NAT8L_HUMAN; NAT ChEBI
Therapy analeptic, neurostimulant SMDC MicroSource
PUBCHEM_PATENT_ID EP0358428A2; EP0358428B1; US5081024 IBM Patent Data
UniProt Database Links NAT8L_DANRE; NAT8L_HUMAN; NAT8L_MOUSE; NAT8L_RAT; NAT8L_XENTR ChEBI
Patent Database Links US2001000326; US2005107453 ChEBI

Activity (Go SEA)

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