N-Acetyl-L-glutamate 5-semialdehyde

Details

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Internal ID 998172d9-7918-4552-8563-634adb0ae4c5
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids > N-acyl-L-alpha-amino acids
IUPAC Name (2S)-2-acetamido-5-oxopentanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C7H11NO4/c1-5(10)8-6(7(11)12)3-2-4-9/h4,6H,2-3H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1
InChI Key BCPSFKBPHHBDAI-LURJTMIESA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C7H11NO4
Molecular Weight 173.17 g/mol
Exact Mass 173.06880783 g/mol
Topological Polar Surface Area (TPSA) 83.50 Ų
XlogP -1.00

Synonyms

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N-Acetyl-5-oxo-L-norvaline
N-Acetyl-L-glutamate 5-semialdehyde
13074-21-0
2-acetamido-5-oxopentanoic acid
(2S)-2-ACETAMIDO-5-OXO-PENTANOIC ACID
N-Acetyl-L-glutamic acid gamma-semialdehyde
2-acetamido-5-oxovaleric acid
CHEBI:16319
DTXSID10926883
N-(1-Hydroxyethylidene)-5-oxonorvaline
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of N-Acetyl-L-glutamate 5-semialdehyde

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4040 P28482 MAP kinase ERK2 95.94% 83.82%
CHEMBL2581 P07339 Cathepsin D 93.11% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 92.36% 90.17%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.85% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.51% 96.09%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.05% 93.56%
CHEMBL340 P08684 Cytochrome P450 3A4 84.06% 91.19%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.72% 96.00%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 81.96% 100.00%
CHEMBL2413 P32246 C-C chemokine receptor type 1 81.85% 89.50%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 81.56% 94.33%
CHEMBL1255126 O15151 Protein Mdm4 81.40% 90.20%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.48% 95.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 192878
LOTUS LTS0068191
wikiData Q27101848