N-Acetylhexosamine

Details

• Internal ID: 2d593f37-ad14-4da3-ab20-9b38d01ca279
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Amino sugars > Acylaminosugars
• IUPAC Name: N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES (Canonical): CC(=O)NC1C(C(C(OC1O)CO)O)O
• SMILES (Isomeric): CC(=O)NC1C(C(C(OC1O)CO)O)O
• InChI: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)
• InChI Key: OVRNDRQMDRJTHS-UHFFFAOYSA-N
• Popularity: 235 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₅NO₆
• Molecular Weight: 221.21 g/mol
• Exact Mass: 221.08993720 g/mol
• Topological Polar Surface Area (TPSA): 119.00 Ų
• XlogP: -1.70

Synonyms

• HexNAc
• N-Acetyl-Hexosamine
• N-Acetylhexosamine
• Croton Oil ,
• 14215-68-0
• N-acetylmannosamine
• N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• 8001-28-3
• CHEBI:7203
• N-Acetyl-D-glucosamine-d3
• 7772-94-3
• 2-acetamido-2-deoxy-D-[1-13C]glucose
• 2-Deoxy-2-(acetylamino)-D-glucopyranose
• Cyclic N-Acetyl-mannosamine
• 2-[1-13C]ACETAMIDO-2-DEOXY-D-GLUCOSE
• 2-[2-13C]ACETAMIDO-2-DEOXY-D-GLUCOSE
• 2-ACETAMIDO-2-DEOXY-D-[2-13C]GLUCOSE
• 2-ACETAMIDO-2-DEOXY-D-[1-13C]GALACTOSE
• 2-ACETAMIDO-2-DEOXY-D-[UL-13C6]GLUCOSE
• 2-[1,2-13C2]ACETAMIDO-2-DEOXY-D-GLUCOSE
• 2-[15N]ACETAMIDO-2-DEOXY-D-[1-13C]GLUCOSE
• 2-[15N]ACETAMIDO-2-DEOXY-D-[UL-13C6]GLUCOSE
• 2-[1,2-13C2]ACETAMIDO-2-DEOXY-D-[UL-13C6]GLUCOSE
• 2-[1,2-13C2,15N]ACETAMIDO-2-DEOXY-D-[1-13C]GLUCOSE
• 2-[1,2-13C2,15N]ACETAMIDO-2-DEOXY-D-[UL-13C6]GLUCOSE
• SMR000857252
• N-Acetylchondrosamine
• 2-[15N]ACETAMIDO-2-DEOXY-D-GLUCOSE
• N-Acetylmannosamine; ManNAc
• 72-87-7
• MFCD00065372
• 2-(Acetylamino)-2-deoxyhexopyranose #
• 478518-53-5
• 478518-85-3
• 478518-87-5
• 478529-39-4
• 478529-43-0
• 6-Acetamido-6-deoxy-acpha-D-glucopyranose
• N-acetyl-d-man-nosamine
• MLS001333153
• MLS001333154
• CHEMBL83479
• SCHEMBL256545
• N-(2,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl)-acetamide
• SCHEMBL19604061
• SCHEMBL24105621
• DTXSID80859634
• 2-Acetamido-2-Deoxy-Hexopyranose
• N-(2,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl)-acetamide,(N-Acetyl-D-
• HMS2233G11
• HMS3373E07
• 2-Acetamido-2-Deoxy-Hexopyranoside
• AKOS030212680
• SB45257
• SB46979
• SB47153
• SY057410
• 6-Acetamido-6-deoxy-.alpha.-D-glucopyranose
• FT-0629805
• FT-0629816
• FT-0636621
• FT-0661244
• FT-0661285
• C02711
• EN300-270189
• L001205
• J-007607
• Q27107455
• Z1509532067

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1075138	Q9NUW8	Tyrosyl-DNA phosphodiesterase 1	562.3 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.35%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.04%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	87.81%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.83%	99.17%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	84.43%	94.33%
CHEMBL2581	P07339	Cathepsin D	84.03%	98.95%
CHEMBL226	P30542	Adenosine A1 receptor	83.09%	95.93%
CHEMBL4040	P28482	MAP kinase ERK2	82.33%	83.82%
CHEMBL218	P21554	Cannabinoid CB1 receptor	81.46%	96.61%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.95%	96.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.26%	85.14%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 899
• LOTUS: LTS0214406
• wikiData: Q27107455