N-acetyl-beta-neuraminic acid
PubChem CID: 445063
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 131-48-6, N-acetyl-beta-neuraminic acid, N-acetylneuramic acid, N-Acetyl-D-neuraminic acid, NANA, Lactaminic acid, 5-N-ACETYL-BETA-D-NEURAMINIC ACID, beta-Neu5Ac, BETA-SIALIC ACID, (2S,4S,5R,6R)-5-Acetamido-2,4-dihydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid, 19342-33-7, (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid, N-Acetylsialic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, TIP79W5HPN, CHEMBL165084, CHEBI:45744, MFCD00006620, Neuraminic acid, N-acetyl-, NAN, 131-48-6(free base ), 489-46-3, O-sialic acid, 5-acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid, SLB, N-AcetylneuraminicAcid, UNII-TIP79W5HPN, Lactaminate, Sialomucin, aceneuramic-acid, N-Acetylsialate, b-sialic acid, NSC111756, N-Acetylneuramate, 4mmp, 4mnp, N-acetyl-neuraminate, Neu-5Ac, 5-N-Acetylneuraminate, N-Acetyl-b-neuraminate, N-Acetyl-D-neuraminate, N-Acetyl-b-D-neuraminate, Neuraminic acid, N-acetyl, 5-N-Acetyl-D-neuraminate, N-Acetyl-delta-neuraminate, SCHEMBL22412, 5-N-Acetyl-delta-neuraminate, MLS002207179, 131-48-6(free base), N-Acetyl-b-D-neuraminic acid, Neuraminic acid, N-acetyl- Starburst 4th Generation, 5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-nonulopyranosonic Acid, N-Acetyl-delta-neuraminic acid, N-Acetyl-beta-delta-neuraminate, N-acetyl-beta-D-neuraminic acid, 5-N-Acetyl-b-D-neuraminic acid, DTXSID80864309, 5-N-Acetyl-delta-neuraminic acid, (-)-N-acetyl-beta-neuraminic acid, N-Acetyl-beta-delta-neuraminic acid, N-(-)-ACETYLNEURAMINIC ACID, BDBM50063302, s4792, 5-N-Acetyl-beta-delta-neuraminic acid, AKOS016004587, N-Acetyl-D-[1-13C]Neuraminic Acid, N-Acetyl-D-[2-13C]Neuraminic Acid, CCG-267571, DB04265, MA00746, MA15585, MA15642, N-ACETYL-.BETA.-NEURAMINIC ACID, AC-24185, AS-13907, MA167834, MA182016, SMR000857174, .BETA.-NEURAMINIC ACID, N-ACETYL-, N-ACETYL-.BETA.-D-NEURAMINIC ACID, N-Acetylneuraminic acid, analytical standard, N-Acetylneuraminic acid, synthetic, >=95%, A1105, NS00069207, (-)-N-ACETYL-.BETA.-NEURAMINIC ACID, C19910, EN300-174088, N-ACETYL-.BETA.-NEURAMINIC ACID, (-)-, N-Acetyl-D-[1,2,3-(1)(3)C3]neuraminic acid, BRD-K36262466-001-06-3, N-Acetylneuraminic acid, cell culture tested, >=95%, Q27120624, N-Acetylneuraminic acid, from Escherichia coli, >=98%, Z1741971506, 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-Nonulosonate, 028D6D24-32A0-45ED-857E-4138653435FB, 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-2-Nonulosonate, 5-acetamido-3,5-dideoxy-delta-glycero-delta-galacto-Nonulosonate, 5-acetamido-3,5-dideoxy-delta-glycero-delta-galacto-Nonulosonic acid, b-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-Nonulopyranosonate, 5-(acetylamino)-3,5-dideoxy-D-glycero-b-D-galacto-2-Nonulopyranosonate, 5-(acetylamino)-3,5-dideoxy-D-glycero-b-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-delta-glycero-delta-galacto-2-Nonulosonate, 5-(acetylamino)-3,5-dideoxy-delta-glycero-delta-galacto-2-Nonulosonic acid, b-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-Nonulopyranosonic acid, beta-5-acetamido-3,5-dideoxy-delta-glycero-delta-galacto-Nonulopyranosonate, 5-(acetylamino)-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-delta-glycero-beta-delta-galacto-2-Nonulopyranosonate, 5-(acetylamino)-3,5-dideoxy-delta-glycero-beta-delta-galacto-2-Nonulopyranosonic acid, beta-5-acetamido-3,5-dideoxy-delta-glycero-delta-galacto-Nonulopyranosonic acid, D-GLYCERO-.BETA.-D-GALACTO-2-NONULOPYRANOSONIC ACID, 5-(ACETYLAMINO)-3,5-DIDEOXY-, D-GLYCERO-D-GALACTO-NONULOPYRANOSONIC ACID, 5-ACETAMIDO-3,5-DIDEOXY-, .BETA.-, Sialic acid, NANA, Neu5Ac, Lactaminic acid, 5-N-Acetyl-D-neuraminic acid, Acetylneuraminic acid, (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid, Sialic acid dihydrate, Neu5Ac dihydrate, N-Acetyl-D-neuraminic acid dihydrate, 5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyr anosonic acid dihydrate |
|---|---|
| Topological Polar Surface Area | 177.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Uniprot Id | Q9Y3R4, Q8WWR8, Q99519, Q9Y223, Q9NR45, Q8NFW8, Q9HAT2, Q8TBE9, Q9BXD5, Q5JQI0, P03468, P03474, O95149, P83916, n.a., P0DTD1 |
| Iupac Name | (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
| Prediction Hob | 0.0 |
| Class | Organooxygen compounds |
| Xlogp | -3.5 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C11H19NO9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SQVRNKJHWKZAKO-PFQGKNLYSA-N |
| Fcsp3 | 0.8181818181818182 |
| Logs | -0.386 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | -1.375 |
| Synonyms | 5-N-ACETYL-BETA-D-neuraminIC ACID, beta-Neu5ac, 5-N-ACETYL-b-D-neuraminate, 5-N-ACETYL-b-D-neuraminic acid, 5-N-ACETYL-beta-D-neuraminate, 5-N-ACETYL-β-D-neuraminate, 5-N-ACETYL-β-D-neuraminic acid, b-Neu5ac, Β-neu5ac, N-Acetylneuraminate, 5-(Acetylamino)-3,5-dideoxy-D-glycero-b-D-galacto-2-nonulopyranosonate, 5-(Acetylamino)-3,5-dideoxy-D-glycero-b-D-galacto-2-nonulopyranosonic acid, 5-(Acetylamino)-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonate, 5-(Acetylamino)-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid, 5-(Acetylamino)-3,5-dideoxy-delta-glycero-beta-delta-galacto-2-nonulopyranosonate, 5-(Acetylamino)-3,5-dideoxy-delta-glycero-beta-delta-galacto-2-nonulopyranosonic acid, 5-(Acetylamino)-3,5-dideoxy-delta-glycero-delta-galacto-2-nonulosonate, 5-(Acetylamino)-3,5-dideoxy-delta-glycero-delta-galacto-2-nonulosonic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-nonulosonate, 5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-nonulosonic acid, 5-Acetamido-3,5-dideoxy-delta-glycero-delta-galacto-nonulosonate, 5-Acetamido-3,5-dideoxy-delta-glycero-delta-galacto-nonulosonic acid, 5-N-Acetyl-beta-delta-neuraminic acid, 5-N-Acetyl-D-neuraminate, 5-N-Acetyl-D-neuraminic acid, 5-N-Acetyl-delta-neuraminate, 5-N-Acetyl-delta-neuraminic acid, 5-N-Acetylneuraminate, 5-N-Acetylneuraminic acid, Aceneuramate, Aceneuramic acid, Acetylneuraminate, Acetylneuraminic acid, b-5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-nonulopyranosonate, b-5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-nonulopyranosonic acid, b-Sialic acid, beta-5-Acetamido-3,5-dideoxy-delta-glycero-delta-galacto-nonulopyranosonate, beta-5-Acetamido-3,5-dideoxy-delta-glycero-delta-galacto-nonulopyranosonic acid, beta-Sialic acid, Lactaminate, Lactaminic acid, N-Acetyl-b-D-neuraminate, N-Acetyl-b-D-neuraminic acid, N-Acetyl-b-neuraminate, N-Acetyl-beta-delta-neuraminate, N-Acetyl-beta-delta-neuraminic acid, N-Acetyl-beta-neuraminate, N-Acetyl-D-neuraminate, N-Acetyl-D-neuraminic acid, N-Acetyl-delta-neuraminate, N-Acetyl-delta-neuraminic acid, N-Acetyl-neuraminate, N-Acetyl-neuraminic acid, N-Acetylneuramate, N-Acetylneuramic acid, N-Acetylsialate, N-Acetylsialic acid, NAN, NANA, Neu5ac, Sialic acid, Acid, sialic, Acid, N-acetylneuraminic, N Acetylneuraminic acid, N-Acetyl-beta-D-neuraminic acid, N-Acetyl-beta-neuraminic acid, N-Acetyl-β-D-neuraminic acid, N-Acetyl-β-neuraminic acid, N-Acetylneuraminic acid |
| Compound Name | N-acetyl-beta-neuraminic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 309.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 309.106 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 309.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | 0.8972198000000002 |
| Inchi | InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1 |
| Smiles | CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | N-acylneuraminic acids |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Simplicissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all