N-ACETYL-beta-D-GLUCOSAMINE
PubChem CID: 24139
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| Compound Synonyms | N-Acetyl-beta-D-glucosamine, acetylglucosamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, betaGlcNAc, GlcNAc-beta, Beta-N-Acetylglucosamine, CHEBI:28009, 14131-68-1, 2-Acetamido-2-deoxy-beta-D-glucosamine, beta-N-Acetylglucosamin, N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide, 2-Acetamido-2-deoxy-beta-D-glucose, 72-87-7, 2-acetamido-2-deoxyhexopyranose, 8P59336F68, UNII-8P59336F68, N-Acetyl Glucosamine, 103094-10-6, Glucopyranose, 2-acetamido-2-deoxy-, beta-D-, 137630-09-2, 1398-61-4, NAcGlc, Cheon shim bo yun, n-acetyl-b-d-glucosamine, C8H15NO6, pharmaceutical aid, ssGlcNAc-R, Crab Shell Chitin, b-N-Acetylglucosamine, Spectrum_000999, Spectrum2_001353, Spectrum3_001400, Spectrum4_001179, b-N-Acetyl-D-glucosamine, bmse000231, Epitope ID:135813, beta-N-Acetyl-D-glucosamine, SCHEMBL19345, BSPBio_003020, KBioGR_001817, KBioSS_001479, DivK1c_000352, SPECTRUM1500715, n-acetyl-.beta.-d-glucosamine, SPBio_001565, CHEMBL447878, beta-N-Acetyl-delta-glucosamine, SCHEMBL21358982, CHEBI:17029, HMS501B14, KBio1_000352, KBio2_001479, KBio2_004047, KBio2_006615, KBio3_002240, .BETA.-N-ACETYLGLUCOSAMIN, [4)-beta-D-GlcpNAc(1->]n, 2-Acetamido-2-deoxy-b-D-glucose, NINDS_000352, DTXSID301045979, HMS1921E22, N-Acetyl-D-glucosamine, USP grade, BDBM50481442, CCG-39291, AKOS015960418, AT21015, 2-Acetamido-2-deoxy-beta-delta-glucose, IDI1_000352, N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide, NCGC00178341-01, [1,4-(N-Acetyl-beta-D-glucosaminyl)]n, 2-deoxy-2-acetamido-beta-D-glucopyranose, AC-11093, (1->4)-2-acetamido-2-deoxy-beta-D-glucan, 2-(acetylamino)-2-deoxy-beta-D-glucopyranose, 2-ACETAMIDO-2-DEOXY-.BETA.-D-GLUCOSE, C03878, N-acetyl-D-glucosamine (complete stereochemistry), Q284367, 2-ACETAMIDO-2-DEOXY-.BETA.-D-GLUCOPYRANOSE, GLUCOPYRANOSE, 2-ACETAMIDO-2-DEOXY-, .BETA.-D-, Poly-(b1-4)-N-acetyl glucosamine/Poly-(a1-4)-N-acetyl glucosamine, WURCS=2.0/1,1,0/(a2122h-1b_1-5_2*NCC/3=O)/1/ |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 119.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Aminosugars |
| Deep Smiles | OC[C@H]O[C@@H]O)[C@@H][C@H][C@@H]6O))O))NC=O)C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Beta-n-acetylglucosamine, also known as glcnac-beta or 2-acetamido-2-deoxy-D-glucose, is a member of the class of compounds known as acylaminosugars. Acylaminosugars are organic compounds containing a sugar linked to a chain through N-acyl group. Beta-n-acetylglucosamine is soluble (in water) and a very weakly acidic compound (based on its pKa). Beta-n-acetylglucosamine can be found primarily in feces and saliva. Within the cell, beta-n-acetylglucosamine is primarily located in the cytoplasm. |
| Scaffold Graph Node Level | C1CCOCC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 235.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | B1B4J9, Q07108, P27471, n.a., Q9NPD5, Q9Y6L6 |
| Iupac Name | N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -1.7 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H15NO6 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Inchi Key | OVRNDRQMDRJTHS-FMDGEEDCSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 2-Acetamido-2-deoxy-D-glucose, 2-Acetylamino-2-deoxy-D-glucose, Acetylglucosamine, BetaGlcNAc, GlcNAc-beta, N-Acetyl-D-glucosamine, N-Acetylglucosamine, WURCS=2.0/1,1,0/[a2122h-1b_1-5_2*ncc/3=o]/1/, GlcNAc-b, GlcNAc-β, b-N-Acetylglucosamine, Β-N-acetylglucosamine, N-Acetyl-b-D-glucosamine, N-Acetyl-β-D-glucosamine, N Acetyl D glucosamine, 2 Acetamido 2 deoxyglucose, 2 Acetamido 2 deoxy D glucose, 2-Acetamido-2-deoxyglucose, 2-Acetamido-2-deoxy-b-D-glucose, 2-Acetamido-2-deoxy-beta-D-glucose, 2-Acetamido-2-deoxy-beta-delta-glucose, b-N-Acetyl-D-glucosamine, beta-N-Acetyl-D-glucosamine, beta-N-Acetyl-delta-glucosamine, N-Acetyl-beta-D-glucosamine, N-Acetyl glucosamine, glucosamine, n-acetyl, n-acetyl-glucosamine, n-acetylgalactosamine, n-acetylglucosamine |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)NC, CO, CO[C@H](C)O |
| Compound Name | N-ACETYL-beta-D-GLUCOSAMINE |
| Kingdom | Organic compounds |
| Exact Mass | 221.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 221.09 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 221.21 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| 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)/t4-,5-,6-,7-,8-/m1/s1 |
| Smiles | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Acylaminosugars |
| Np Classifier Superclass | Aminosugars and aminoglycosides |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Reference:ISBN:9788171360536