(2S,4S)-4-amino-2-hydroxybutane-1,2,4-tricarboxylic acid

Details

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Internal ID bb8f3360-3db4-4c8e-98f7-0b580dd4a09c
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > L-alpha-amino acids
IUPAC Name (2S,4S)-4-amino-2-hydroxybutane-1,2,4-tricarboxylic acid
SMILES (Canonical) C(C(C(=O)O)N)C(CC(=O)O)(C(=O)O)O
SMILES (Isomeric) C([C@@H](C(=O)O)N)[C@](CC(=O)O)(C(=O)O)O
InChI InChI=1S/C7H11NO7/c8-3(5(11)12)1-7(15,6(13)14)2-4(9)10/h3,15H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)/t3-,7-/m0/s1
InChI Key BJJRSWKONYBDFQ-NOWQDGDBSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C7H11NO7
Molecular Weight 221.16 g/mol
Exact Mass 221.05355169 g/mol
Topological Polar Surface Area (TPSA) 158.00 Ų
XlogP -4.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2S,4S)-4-amino-2-hydroxybutane-1,2,4-tricarboxylic acid

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 98.24% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.17% 96.09%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 90.70% 92.29%
CHEMBL2581 P07339 Cathepsin D 87.66% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.40% 99.17%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.16% 96.95%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 81.66% 100.00%
CHEMBL1255126 O15151 Protein Mdm4 80.75% 90.20%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Caylusea abyssinica

Cross-Links

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PubChem 162913227
LOTUS LTS0150826
wikiData Q104937131