2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose

Details

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Internal ID 434af640-303d-44ca-9de4-501b8bed157a
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Amino sugars > Acylaminosugars
IUPAC Name [(2R,3S,4R,5S,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
SMILES (Canonical) CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)O
SMILES (Isomeric) CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O
InChI InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5+,6-,7-,8+/m1/s1
InChI Key BRGMHAYQAZFZDJ-UOLFYFMNSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C8H16NO9P
Molecular Weight 301.19 g/mol
Exact Mass 301.05626809 g/mol
Topological Polar Surface Area (TPSA) 166.00 Ų
XlogP -4.20

Synonyms

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2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose
CHEBI:62165
N-acetyl-alpha-D-mannosamine 6-phosphate
2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannose
N-acetylmannosamine-6-P
N-acetyl-D-mannosamine-6-P
BMX
Epitope ID:149550
SCHEMBL14669223
SCHEMBL20718798
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.89% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 92.78% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.66% 91.11%
CHEMBL5957 P21589 5'-nucleotidase 90.49% 97.78%
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 90.32% 94.01%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 88.29% 94.33%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 87.61% 87.67%
CHEMBL1075162 Q13304 Uracil nucleotide/cysteinyl leukotriene receptor 87.23% 80.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.38% 99.17%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 86.15% 81.11%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 85.74% 97.29%
CHEMBL5255 O00206 Toll-like receptor 4 85.68% 92.50%
CHEMBL226 P30542 Adenosine A1 receptor 84.29% 95.93%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.42% 96.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.36% 85.14%
CHEMBL3437 Q16853 Amine oxidase, copper containing 80.67% 94.00%
CHEMBL4040 P28482 MAP kinase ERK2 80.11% 83.82%

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 440273
LOTUS LTS0208360
wikiData Q27131657